 Entering Gaussian System, Link 0=g16
 Input=36c_RhEn3-lelob2_STD_B3LYPDBJ-def2SVPDr.in
 Output=36c_RhEn3-lelob2_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/36c_RhEn3-lelob2_STD/Gau-11670.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/36c_RhEn3-lelob2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11672.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=36c_RhEn3-lelob2_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Rea
 d
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36c_RhEn3-lelob2_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.882333000000      0.078868000000     -0.751096000000
  C                                                -2.883637000000     -0.089617000000      0.748561000000
  N                                                -1.604578000000     -0.773888000000      1.152492000000
  Rh                                                0.000181000000      0.000116000000      0.000562000000
  N                                                 1.496894000000      0.977942000000     -1.143379000000
  C                                                 2.016113000000      2.164980000000     -0.376616000000
  C                                                 0.851421000000      2.839270000000      0.306893000000
  N                                                 0.108865000000      1.805044000000      1.109170000000
  N                                                -1.605762000000      0.769395000000     -1.151895000000
  N                                                 1.498354000000     -0.974746000000      1.144883000000
  C                                                 2.023540000000     -2.157905000000      0.376178000000
  C                                                 0.862316000000     -2.836237000000     -0.309308000000
  N                                                 0.114723000000     -1.803750000000     -1.109148000000
  H                                                 2.746689000000      1.805009000000      0.348651000000
  H                                                 2.534073000000      2.852953000000     -1.045694000000
  H                                                 0.159478000000      3.264331000000     -0.421261000000
  H                                                 1.187267000000      3.652750000000      0.950911000000
  H                                                 0.172399000000     -3.266690000000      0.417566000000
  H                                                 1.202417000000     -3.646338000000     -0.955343000000
  H                                                 2.752960000000     -1.793209000000     -0.347870000000
  H                                                 2.544317000000     -2.844721000000      1.044258000000
  H                                                 2.285191000000     -0.385753000000      1.415804000000
  H                                                 1.112276000000     -1.308266000000      2.028366000000
  H                                                -0.783947000000     -2.191995000000     -1.394149000000
  H                                                 0.611614000000     -1.648380000000     -1.986518000000
  H                                                -1.721936000000      1.772878000000     -1.012515000000
  H                                                -1.479542000000      0.662744000000     -2.158404000000
  H                                                -0.791007000000      2.190068000000      1.394742000000
  H                                                 0.607425000000      1.652565000000      1.986087000000
  H                                                 2.286557000000      0.391334000000     -1.411120000000
  H                                                 1.111518000000      1.307831000000     -2.028554000000
  H                                                -2.916638000000     -0.885119000000     -1.259574000000
  H                                                -3.746888000000      0.653215000000     -1.085607000000
  H                                                -3.746060000000     -0.668259000000      1.081160000000
  H                                                -2.923915000000      0.874214000000      1.256925000000
  H                                                -1.480078000000     -0.664291000000      2.158900000000
  H                                                -1.716296000000     -1.778222000000      1.015422000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          12          12          14          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           0           0           2           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078868   -0.751096
      2          6           0       -2.883637   -0.089617    0.748561
      3          7           0       -1.604578   -0.773888    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496894    0.977942   -1.143379
      6          6           0        2.016113    2.164980   -0.376616
      7          6           0        0.851421    2.839270    0.306893
      8          7           0        0.108865    1.805044    1.109170
      9          7           0       -1.605762    0.769395   -1.151895
     10          7           0        1.498354   -0.974746    1.144883
     11          6           0        2.023540   -2.157905    0.376178
     12          6           0        0.862316   -2.836237   -0.309308
     13          7           0        0.114723   -1.803750   -1.109148
     14          1           0        2.746689    1.805009    0.348651
     15          1           0        2.534073    2.852953   -1.045694
     16          1           0        0.159478    3.264331   -0.421261
     17          1           0        1.187267    3.652750    0.950911
     18          1           0        0.172399   -3.266690    0.417566
     19          1           0        1.202417   -3.646338   -0.955343
     20          1           0        2.752960   -1.793209   -0.347870
     21          1           0        2.544317   -2.844721    1.044258
     22          1           0        2.285191   -0.385753    1.415804
     23          1           0        1.112276   -1.308266    2.028366
     24          1           0       -0.783947   -2.191995   -1.394149
     25          1           0        0.611614   -1.648380   -1.986518
     26          1           0       -1.721936    1.772878   -1.012515
     27          1           0       -1.479542    0.662744   -2.158404
     28          1           0       -0.791007    2.190068    1.394742
     29          1           0        0.607425    1.652565    1.986087
     30          1           0        2.286557    0.391334   -1.411120
     31          1           0        1.111518    1.307831   -2.028554
     32          1           0       -2.916638   -0.885119   -1.259574
     33          1           0       -3.746888    0.653215   -1.085607
     34          1           0       -3.746060   -0.668259    1.081160
     35          1           0       -2.923915    0.874214    1.256925
     36          1           0       -1.480078   -0.664291    2.158900
     37          1           0       -1.716296   -1.778222    1.015422
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509092   0.000000
     3  N    2.446119   1.505782   0.000000
     4  Rh   2.979946   2.980597   2.121621   0.000000
     5  N    4.487744   4.889598   4.237813   2.122474   0.000000
     6  C    5.337309   5.509699   4.907598   2.982093   1.505514
     7  C    4.762361   4.766981   4.449930   2.979806   2.446317
     8  N    3.922695   3.560175   3.096555   2.120988   2.772129
     9  N    1.505690   2.445935   2.773432   2.121085   3.109669
    10  N    4.888278   4.488025   3.109435   2.122345   3.008178
    11  C    5.508311   5.338246   3.959976   2.981966   3.524194
    12  C    4.766069   4.763945   3.532097   2.980637   3.955544
    13  N    3.557358   3.921670   3.021858   2.120969   3.106345
    14  H    5.989566   5.953999   5.121562   3.304862   2.114753
    15  H    6.092601   6.421032   5.925743   3.956506   2.144982
    16  H    4.416852   4.677392   4.679295   3.295210   2.745489
    17  H    5.677244   5.533400   5.237381   3.956523   3.411234
    18  H    4.678666   4.420713   3.148305   3.297813   4.712509
    19  H    5.532094   5.678855   4.535764   3.956735   4.637460
    20  H    5.951789   5.989625   4.719983   3.303818   3.144808
    21  H    6.420218   6.094319   4.638253   3.956643   4.527207
    22  H    5.622689   5.220124   3.917944   2.715341   3.005078
    23  H    5.060282   4.369248   2.904137   2.657180   3.928695
    24  H    3.158094   3.663318   3.028175   2.713932   3.913262
    25  H    4.088682   4.703954   3.940765   2.653277   2.896924
    26  H    2.069911   2.814218   3.344704   2.671085   3.318119
    27  H    2.071050   3.314812   3.611312   2.699961   3.160506
    28  H    3.665437   3.161268   3.083118   2.713965   3.625714
    29  H    4.706071   4.093187   3.387553   2.653609   3.322624
    30  H    5.220219   5.623739   4.803205   2.715403   1.019491
    31  H    4.369565   5.062262   4.672236   2.657536   1.020233
    32  H    1.090412   2.160213   2.748079   3.298396   4.792052
    33  H    1.090517   2.158975   3.411041   3.955607   5.254145
    34  H    2.159024   1.090515   2.145272   3.955849   5.928500
    35  H    2.160197   1.090425   2.113716   3.300429   5.031478
    36  H    3.314616   2.071059   1.019985   2.700190   4.739656
    37  H    2.815850   2.070093   1.019782   2.671838   4.751995
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.509423   0.000000
     8  N    2.444322   1.504879   0.000000
     9  N    3.958117   3.528483   3.020750   0.000000
    10  N    3.527168   3.958215   3.107923   4.237069   0.000000
    11  C    4.387948   5.133266   4.461863   4.906722   1.505521
    12  C    5.133025   5.708870   4.911340   4.449938   2.446296
    13  N    4.461245   4.909738   4.236079   3.095637   2.771703
    14  H    1.090565   2.159509   2.745269   4.718894   3.149502
    15  H    1.090530   2.158934   3.409279   4.635809   4.530190
    16  H    2.158161   1.090720   2.115254   3.142388   4.713297
    17  H    2.159346   1.090551   2.145231   4.531726   4.641995
    18  H    5.790772   6.144597   5.119066   4.681351   2.745934
    19  H    5.896477   6.616612   5.930905   5.236717   3.411148
    20  H    4.026292   5.050191   4.696981   5.119751   2.114765
    21  H    5.234022   5.976400   5.249377   5.925207   2.144987
    22  H    3.129123   3.699480   3.103226   4.802808   1.019521
    23  H    4.320220   4.498174   3.397713   4.671024   1.020213
    24  H    5.278157   5.557122   4.800004   3.082839   3.624538
    25  H    4.371054   5.045418   4.664995   3.385113   3.323517
    26  H    3.811971   3.082239   2.802573   1.019756   4.751218
    27  H    4.201319   4.030923   3.808533   1.019983   4.739298
    28  H    3.319377   2.074234   1.019590   3.027788   3.914033
    29  H    2.798095   2.070627   1.020194   3.940193   2.898990
    30  H    2.071028   3.317164   3.618395   3.919219   3.003430
    31  H    2.069274   2.804865   3.331343   2.905521   3.928168
    32  H    5.866409   5.524777   4.690586   2.113624   5.028081
    33  H    6.000024   5.278479   4.583731   2.145300   5.927724
    34  H    6.584451   5.834302   4.580225   3.410903   5.253748
    35  H    5.360822   4.360868   3.175851   2.747895   4.794546
    36  H    5.163039   4.597908   3.118379   3.610071   3.161593
    37  H    5.605131   5.330705   4.022412   3.346615   3.316068
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509459   0.000000
    13  N    2.444423   1.504882   0.000000
    14  H    4.028448   5.052221   4.698464   0.000000
    15  H    5.233647   5.975276   5.248063   1.757154   0.000000
    16  H    5.788893   6.141941   5.114747   3.068558   2.489548
    17  H    5.898592   6.618210   5.930226   2.491718   2.537714
    18  H    2.158203   1.090698   2.115272   5.688044   6.720764
    19  H    2.159311   1.090547   2.145196   5.813980   6.634927
    20  H    1.090551   2.159613   2.745897   3.665018   4.703370
    21  H    1.090530   2.159014   3.409356   4.705828   6.068896
    22  H    2.071185   3.317447   3.618982   2.480168   4.075553
    23  H    2.069303   2.803907   3.329356   3.896823   5.365361
    24  H    3.319217   2.074153   1.019592   5.610596   6.048320
    25  H    2.799193   2.070480   1.020205   4.683744   4.984275
    26  H    5.604294   5.330741   4.021806   4.671447   4.391045
    27  H    5.162533   4.598513   3.118687   5.044911   4.705767
    28  H    5.278638   5.558867   4.800041   3.709160   4.177475
    29  H    4.372284   5.048084   4.665763   2.698312   3.787427
    30  H    3.124457   3.695899   3.102651   2.303691   2.500874
    31  H    4.315767   4.493463   3.394237   2.927810   2.318853
    32  H    5.357334   4.357793   3.171066   6.472747   6.612804
    33  H    6.583088   5.832982   4.577037   6.749094   6.655142
    34  H    6.000361   5.279267   4.581750   6.986373   7.507497
    35  H    5.869137   5.527755   4.690748   5.817825   6.245566
    36  H    4.205273   4.036856   3.810760   5.219196   6.225258
    37  H    3.813026   3.086024   2.804832   5.762149   6.615256
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757861   0.000000
    18  H    6.584682   7.013777   0.000000
    19  H    7.009302   7.543919   1.757825   0.000000
    20  H    5.684210   5.813493   3.068605   2.491444   0.000000
    21  H    6.719801   6.638330   2.489336   2.538048   1.757051
    22  H    4.606146   4.210828   3.709470   4.174464   2.304406
    23  H    5.274196   5.077225   2.704343   3.791731   2.928056
    24  H    5.622104   6.598942   2.313413   2.500661   3.709911
    25  H    5.175827   6.087844   2.931119   2.324695   2.700279
    26  H    2.472596   3.981510   5.570537   6.158166   5.760506
    27  H    3.531615   5.071474   4.980460   5.216172   5.217644
    28  H    2.314159   2.499999   5.626654   6.600021   5.609179
    29  H    2.931513   2.325628   5.181561   6.089696   4.682311
    30  H    3.709231   4.174262   4.603791   4.205459   2.473916
    31  H    2.705118   3.792307   5.271782   5.069895   3.890434
    32  H    5.232895   6.505424   4.245801   4.968249   5.813792
    33  H    4.745416   6.122949   5.743344   6.557343   6.984073
    34  H    5.742452   6.559405   4.748318   6.124028   6.748696
    35  H    4.246914   4.971491   5.238203   6.508159   6.474367
    36  H    4.977896   5.216398   3.540537   5.078080   5.047471
    37  H    5.568656   6.158758   2.477930   3.986560   4.672584
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.500343   0.000000
    23  H    2.319462   1.613069   0.000000
    24  H    4.177226   4.536293   4.011265   0.000000
    25  H    3.788427   3.996359   4.060250   1.610593   0.000000
    26  H    6.614639   5.158826   5.174279   4.092149   4.254309
    27  H    6.225014   5.295991   5.303908   3.036029   3.121502
    28  H    6.049490   4.012268   4.032655   5.194270   5.304144
    29  H    4.986399   2.700900   3.003861   5.304956   5.165060
    30  H    4.070304   2.931785   4.012186   4.012714   2.701287
    31  H    5.360856   4.013644   4.827273   4.030389   2.998475
    32  H    6.242572   5.870778   5.217447   2.504876   3.682333
    33  H    7.506740   6.612298   6.095548   4.119398   5.010541
    34  H    6.656365   6.047130   4.991016   4.150065   5.418543
    35  H    6.616439   5.361674   4.652868   4.583590   5.420643
    36  H    4.710887   3.847990   2.674330   3.929712   4.746377
    37  H    4.392161   4.255722   3.041009   2.616585   3.801009
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.613758   0.000000
    28  H    2.614491   3.928313   0.000000
    29  H    3.798949   4.744679   1.610655   0.000000
    30  H    4.258587   3.849104   4.536486   3.993896   0.000000
    31  H    3.045828   2.673311   4.014586   4.060824   1.613043
    32  H    2.924602   2.295435   4.584809   5.421547   5.359621
    33  H    2.315042   2.508354   4.153466   5.421628   6.047892
    34  H    3.799961   4.171744   4.123191   5.015770   6.612614
    35  H    2.720792   3.714217   2.509933   3.688885   5.873726
    36  H    4.007014   4.516651   3.034159   3.123356   5.295935
    37  H    4.089361   4.010927   4.092355   4.255839   5.159255
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.650419   0.000000
    33  H    4.992172   1.756716   0.000000
    34  H    6.096828   2.492791   2.537947   0.000000
    35  H    5.221792   3.070517   2.492706   1.756712   0.000000
    36  H    5.304753   3.714624   4.171460   2.509226   2.294607
    37  H    5.175524   2.722877   3.801251   2.314364   2.924395
                   36         37
    36  H    0.000000
    37  H    1.613748   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.02D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078865   -0.751096
      2          6           0       -2.883637   -0.089620    0.748561
      3          7           0       -1.604577   -0.773890    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496893    0.977944   -1.143379
      6          6           0        2.016110    2.164982   -0.376616
      7          6           0        0.851418    2.839271    0.306893
      8          7           0        0.108863    1.805044    1.109170
      9          7           0       -1.605763    0.769393   -1.151895
     10          7           0        1.498355   -0.974744    1.144883
     11          6           0        2.023542   -2.157903    0.376178
     12          6           0        0.862319   -2.836236   -0.309308
     13          7           0        0.114725   -1.803750   -1.109148
     14          1           0        2.746687    1.805012    0.348651
     15          1           0        2.534070    2.852956   -1.045694
     16          1           0        0.159474    3.264331   -0.421261
     17          1           0        1.187263    3.652751    0.950911
     18          1           0        0.172403   -3.266690    0.417566
     19          1           0        1.202421   -3.646337   -0.955343
     20          1           0        2.752962   -1.793206   -0.347870
     21          1           0        2.544320   -2.844718    1.044258
     22          1           0        2.285191   -0.385750    1.415804
     23          1           0        1.112277   -1.308265    2.028366
     24          1           0       -0.783944   -2.191996   -1.394149
     25          1           0        0.611616   -1.648379   -1.986518
     26          1           0       -1.721938    1.772876   -1.012515
     27          1           0       -1.479543    0.662742   -2.158404
     28          1           0       -0.791010    2.190067    1.394742
     29          1           0        0.607423    1.652566    1.986087
     30          1           0        2.286556    0.391337   -1.411120
     31          1           0        1.111516    1.307832   -2.028554
     32          1           0       -2.916637   -0.885122   -1.259574
     33          1           0       -3.746889    0.653211   -1.085607
     34          1           0       -3.746059   -0.668263    1.081160
     35          1           0       -2.923916    0.874211    1.256925
     36          1           0       -1.480077   -0.664293    2.158900
     37          1           0       -1.716294   -1.778224    1.015422
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7085492           0.6964051           0.4626614
 Leave Link  202 at Fri Jul 16 13:10:04 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      6      7     11     12
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      8      9     10     13
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 3 1.00
     Exponent=  7.9177440000D+00 Coefficients=  1.4014042010D+00
     Exponent=  6.8412070000D+00 Coefficients= -1.7975072656D+00
     Exponent=  2.9598400000D+00 Coefficients= -1.6225754497D-01
 S 1 1.00
     Exponent=  1.3166643441D+00 Coefficients=  8.7495110714D-01
 S 1 1.00
     Exponent=  5.6907152172D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0059695193D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.7071460798D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  4.1360790000D+00 Coefficients= -5.5183328018D-01
     Exponent=  2.9462810000D+00 Coefficients=  6.1370533515D-01
     Exponent=  1.0792431924D+00 Coefficients=  6.4005434538D-01
     Exponent=  4.6611217769D-01 Coefficients=  2.5958050755D-01
 P 1 1.00
     Exponent=  1.7453169991D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.4600000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  6.8847131641D+00 Coefficients= -1.5962387985D-02
     Exponent=  2.3837304391D+00 Coefficients=  2.3047555829D-01
     Exponent=  1.0184384022D+00 Coefficients=  4.4075804028D-01
     Exponent=  3.9957494644D-01 Coefficients=  3.9567661996D-01
 D 1 1.00
     Exponent=  1.3951120264D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0949900000D+00 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      F and up 
                                                     2       12.3100000      -30.09345572    0.00000000
                                                     2        6.1600000       -5.21848192    0.00000000
                                      S - F
                                                     2       11.7200000      225.34775353    0.00000000
                                                     2        5.8200000       32.82318898    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      P - F
                                                     2       10.4200000      158.70941159    0.00000000
                                                     2        5.4500000       26.44410049    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      D - F
                                                     2        8.8200000       62.75862572    0.00000000
                                                     2        3.8700000       10.97871947    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          7
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   466 symmetry adapted basis functions of A   symmetry.
   466 basis functions,   692 primitive gaussians,   495 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.3219182307 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0807127395 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.2412054912 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:              15.1 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20718 LenP2D=   45903.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   466 RedAO= T EigKep=  1.01D-05  NBF=   466
 NBsUse=   466 1.00D-06 EigRej= -1.00D+00 NBFU=   466
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   495   495   495   495   495 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:              13.4 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:09 2021, MaxMem=  5637144576 cpu:               4.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36c_RhEn3-lelob2_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:11 2021, MaxMem=  5637144576 cpu:               8.0 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636645459 LenY=  5636399939
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -681.004207146670    
 DIIS: error= 4.79D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -681.004207146670     IErMin= 1 ErrMin= 4.79D-03
 ErrMax= 4.79D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-02 BMatP= 1.46D-02
 IDIUse=3 WtCom= 9.52D-01 WtEn= 4.79D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.234 Goal=   None    Shift=    0.000
 GapD=    0.234 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.16D-03 MaxDP=1.17D+00              OVMax= 1.04D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.24D-03    CP:  1.30D+00
 E= -681.013390721047     Delta-E=       -0.009183574377 Rises=F Damp=F
 DIIS: error= 1.95D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -681.013390721047     IErMin= 2 ErrMin= 1.95D-03
 ErrMax= 1.95D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-03 BMatP= 1.46D-02
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.95D-02
 Coeff-Com:  0.913D-01 0.909D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.895D-01 0.911D+00
 Gap=     0.227 Goal=   None    Shift=    0.000
 RMSDP=7.24D-04 MaxDP=5.05D-02 DE=-9.18D-03 OVMax= 2.38D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.09D-04    CP:  1.30D+00  1.01D+00
 E= -681.009604756174     Delta-E=        0.003785964873 Rises=F Damp=F
 DIIS: error= 4.18D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -681.013390721047     IErMin= 2 ErrMin= 1.95D-03
 ErrMax= 4.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.86D-03 BMatP= 1.22D-03
 IDIUse=3 WtCom= 1.34D-01 WtEn= 8.66D-01
 Coeff-Com: -0.906D-02 0.695D+00 0.314D+00
 Coeff-En:   0.000D+00 0.759D+00 0.241D+00
 Coeff:     -0.121D-02 0.750D+00 0.251D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=4.45D-04 MaxDP=2.66D-02 DE= 3.79D-03 OVMax= 1.28D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.97D-05    CP:  1.31D+00  1.03D+00  4.26D-01
 E= -681.014215280615     Delta-E=       -0.004610524440 Rises=F Damp=F
 DIIS: error= 8.62D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -681.014215280615     IErMin= 4 ErrMin= 8.62D-04
 ErrMax= 8.62D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-04 BMatP= 1.22D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.62D-03
 Coeff-Com: -0.856D-02 0.383D+00 0.518D-01 0.574D+00
 Coeff-En:   0.000D+00 0.235D+00 0.000D+00 0.765D+00
 Coeff:     -0.849D-02 0.382D+00 0.513D-01 0.575D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=9.78D-05 MaxDP=5.44D-03 DE=-4.61D-03 OVMax= 2.73D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.31D-05    CP:  1.31D+00  1.03D+00  2.95D-01  9.78D-01
 E= -681.014450031357     Delta-E=       -0.000234750742 Rises=F Damp=F
 DIIS: error= 4.76D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -681.014450031357     IErMin= 5 ErrMin= 4.76D-05
 ErrMax= 4.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-06 BMatP= 2.87D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.171D-02 0.465D-01-0.260D-01 0.189D+00 0.792D+00
 Coeff:     -0.171D-02 0.465D-01-0.260D-01 0.189D+00 0.792D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.33D-05 MaxDP=1.21D-03 DE=-2.35D-04 OVMax= 2.62D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.00D-06    CP:  1.31D+00  1.03D+00  2.89D-01  1.03D+00  8.41D-01
 E= -681.014451312759     Delta-E=       -0.000001281402 Rises=F Damp=F
 DIIS: error= 1.31D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -681.014451312759     IErMin= 6 ErrMin= 1.31D-05
 ErrMax= 1.31D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.37D-07 BMatP= 1.62D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.452D-03 0.294D-02-0.168D-01 0.655D-01 0.428D+00 0.521D+00
 Coeff:     -0.452D-03 0.294D-02-0.168D-01 0.655D-01 0.428D+00 0.521D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=2.47D-06 MaxDP=1.63D-04 DE=-1.28D-06 OVMax= 6.49D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.48D-06    CP:  1.31D+00  1.03D+00  2.88D-01  1.03D+00  8.52D-01
                    CP:  7.33D-01
 E= -681.014451532652     Delta-E=       -0.000000219894 Rises=F Damp=F
 DIIS: error= 1.96D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -681.014451532652     IErMin= 7 ErrMin= 1.96D-06
 ErrMax= 1.96D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.21D-09 BMatP= 2.37D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.583D-04-0.158D-02-0.388D-02 0.955D-02 0.999D-01 0.177D+00
 Coeff-Com:  0.719D+00
 Coeff:     -0.583D-04-0.158D-02-0.388D-02 0.955D-02 0.999D-01 0.177D+00
 Coeff:      0.719D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=7.85D-07 MaxDP=4.82D-05 DE=-2.20D-07 OVMax= 8.75D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.08D-07    CP:  1.31D+00  1.03D+00  2.88D-01  1.03D+00  8.63D-01
                    CP:  7.33D-01  7.92D-01
 E= -681.014451536769     Delta-E=       -0.000000004117 Rises=F Damp=F
 DIIS: error= 3.27D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -681.014451536769     IErMin= 8 ErrMin= 3.27D-07
 ErrMax= 3.27D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-10 BMatP= 4.21D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.684D-05-0.633D-03-0.235D-03-0.854D-03 0.634D-02 0.232D-01
 Coeff-Com:  0.189D+00 0.783D+00
 Coeff:      0.684D-05-0.633D-03-0.235D-03-0.854D-03 0.634D-02 0.232D-01
 Coeff:      0.189D+00 0.783D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.17D-07 MaxDP=6.73D-06 DE=-4.12D-09 OVMax= 1.68D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.66D-08    CP:  1.31D+00  1.03D+00  2.88D-01  1.03D+00  8.62D-01
                    CP:  7.43D-01  8.21D-01  9.44D-01
 E= -681.014451536697     Delta-E=        0.000000000072 Rises=F Damp=F
 DIIS: error= 1.17D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -681.014451536769     IErMin= 9 ErrMin= 1.17D-07
 ErrMax= 1.17D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-11 BMatP= 1.12D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.413D-05-0.234D-03-0.158D-04-0.592D-03 0.314D-03 0.580D-02
 Coeff-Com:  0.685D-01 0.351D+00 0.576D+00
 Coeff:      0.413D-05-0.234D-03-0.158D-04-0.592D-03 0.314D-03 0.580D-02
 Coeff:      0.685D-01 0.351D+00 0.576D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=3.00D-08 MaxDP=2.39D-06 DE= 7.21D-11 OVMax= 1.31D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.29D-08    CP:  1.31D+00  1.03D+00  2.88D-01  1.03D+00  8.61D-01
                    CP:  7.43D-01  8.22D-01  9.37D-01  7.50D-01
 E= -681.014451536734     Delta-E=       -0.000000000037 Rises=F Damp=F
 DIIS: error= 7.25D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 8 EnMin= -681.014451536769     IErMin=10 ErrMin= 7.25D-08
 ErrMax= 7.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.24D-12 BMatP= 1.32D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.118D-05-0.269D-04 0.253D-04-0.186D-03-0.938D-03-0.698D-03
 Coeff-Com:  0.872D-02 0.731D-01 0.390D+00 0.530D+00
 Coeff:      0.118D-05-0.269D-04 0.253D-04-0.186D-03-0.938D-03-0.698D-03
 Coeff:      0.872D-02 0.731D-01 0.390D+00 0.530D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.23D-08 MaxDP=9.47D-07 DE=-3.71D-11 OVMax= 5.47D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.62D-09    CP:  1.31D+00  1.03D+00  2.88D-01  1.03D+00  8.62D-01
                    CP:  7.43D-01  8.22D-01  9.37D-01  7.95D-01  6.11D-01
 E= -681.014451536719     Delta-E=        0.000000000016 Rises=F Damp=F
 DIIS: error= 9.84D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 8 EnMin= -681.014451536769     IErMin=11 ErrMin= 9.84D-09
 ErrMax= 9.84D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.83D-14 BMatP= 5.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.153D-06 0.483D-05 0.322D-05-0.723D-05-0.270D-03-0.544D-03
 Coeff-Com: -0.164D-02-0.216D-02 0.708D-01 0.134D+00 0.799D+00
 Coeff:      0.153D-06 0.483D-05 0.322D-05-0.723D-05-0.270D-03-0.544D-03
 Coeff:     -0.164D-02-0.216D-02 0.708D-01 0.134D+00 0.799D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=3.66D-09 MaxDP=2.59D-07 DE= 1.57D-11 OVMax= 5.25D-08

 SCF Done:  E(RB3LYP) =  -681.014451537     A.U. after   11 cycles
            NFock= 11  Conv=0.37D-08     -V/T= 2.1265
 KE= 6.045260676700D+02 PE=-3.901270923465D+03 EE= 1.417489198767D+03
 Leave Link  502 at Fri Jul 16 13:19:37 2021, MaxMem=  5637144576 cpu:            4495.2 elap:             565.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   466
 NBasis=   466 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    466 NOA=    58 NOB=    58 NVA=   408 NVB=   408

 **** Warning!!: The largest alpha MO coefficient is  0.65010343D+02

 Leave Link  801 at Fri Jul 16 13:19:37 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11209 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.94D-13 8.33D-09 XBig12= 1.00D+00 4.31D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.94D-13 8.33D-09 XBig12= 2.52D-01 1.10D-01.
     11 vectors produced by pass  2 Test12= 3.94D-13 8.33D-09 XBig12= 9.66D-02 7.38D-02.
     11 vectors produced by pass  3 Test12= 3.94D-13 8.33D-09 XBig12= 1.69D-02 1.88D-02.
     11 vectors produced by pass  4 Test12= 3.94D-13 8.33D-09 XBig12= 2.22D-03 8.31D-03.
     11 vectors produced by pass  5 Test12= 3.94D-13 8.33D-09 XBig12= 4.54D-04 7.85D-03.
     11 vectors produced by pass  6 Test12= 3.94D-13 8.33D-09 XBig12= 7.68D-05 3.11D-03.
     11 vectors produced by pass  7 Test12= 3.94D-13 8.33D-09 XBig12= 2.88D-06 3.25D-04.
     11 vectors produced by pass  8 Test12= 3.94D-13 8.33D-09 XBig12= 7.68D-08 5.06D-05.
     11 vectors produced by pass  9 Test12= 3.94D-13 8.33D-09 XBig12= 1.16D-09 5.76D-06.
     11 vectors produced by pass 10 Test12= 3.94D-13 8.33D-09 XBig12= 2.47D-11 1.44D-06.
      6 vectors produced by pass 11 Test12= 3.94D-13 8.33D-09 XBig12= 5.39D-13 2.47D-07.
      1 vectors produced by pass 12 Test12= 3.94D-13 8.33D-09 XBig12= 9.83D-15 2.92D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   128 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.156927D+03
      2 -0.100806D-02  0.155464D+03
      3 -0.182203D-02  0.347485D-01  0.122994D+03
 Isotropic polarizability for W=    0.085645      145.13 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.904695D+02 -0.529399D+00  0.158584D-01
      2   0.968415D+02  0.560694D+00  0.159113D-01
      3  -0.637205D+01 -0.312951D-01 -0.317697D-01
      4  -0.551017D+00  0.993998D+02 -0.491150D+01
      5  -0.642627D-01  0.116208D+01 -0.914776D+01
      6  -0.942303D+01 -0.711832D-01 -0.531574D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.136100D+01 -0.404841D-01  0.243801D-02
      2  -0.226853D-01  0.320377D+01 -0.195352D+01
      3  -0.174027D-01 -0.182092D+01 -0.334474D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.607358D+01 -0.870945D-01  0.218624D-01
      2   0.801211D-01  0.451153D+01 -0.277570D+01
      3  -0.216185D-01 -0.255831D+01 -0.105851D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.144791D+01  0.149207D-01  0.377165D-02
      2   0.149207D-01 -0.122499D+01  0.276860D+00
      3   0.377165D-02  0.276860D+00 -0.172489D+01
 OR G Eigenvalues:    -1.8479    -1.1020     1.4480  Iso=     0.5007
 Eigenvectors:
   (1)   0.000793  -0.406144   0.913809
   (2)  -0.005948   0.913791   0.406141
   (3)   0.999982   0.005757   0.001691
 w=    0.085645 a.u., Optical Rotation Beta=      0.5007 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =       83.84 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  108811 ScalPx= 4.53D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.78D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.57D-14 2.78D-09 XBig12= 1.00D+00 4.52D-01.
     30 vectors produced by pass  1 Test12= 6.57D-14 2.78D-09 XBig12= 1.00D+00 4.82D-01.
     30 vectors produced by pass  2 Test12= 6.57D-14 2.78D-09 XBig12= 1.33D-02 2.09D-02.
     30 vectors produced by pass  3 Test12= 6.57D-14 2.78D-09 XBig12= 1.21D-03 7.88D-03.
     30 vectors produced by pass  4 Test12= 6.57D-14 2.78D-09 XBig12= 1.83D-05 5.23D-04.
     30 vectors produced by pass  5 Test12= 6.57D-14 2.78D-09 XBig12= 1.61D-07 7.02D-05.
     30 vectors produced by pass  6 Test12= 6.57D-14 2.78D-09 XBig12= 9.91D-10 4.92D-06.
     30 vectors produced by pass  7 Test12= 6.57D-14 2.78D-09 XBig12= 5.52D-12 3.34D-07.
      8 vectors produced by pass  8 Test12= 6.57D-14 2.78D-09 XBig12= 1.30D-14 1.53D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   248 with    30 vectors.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 5.23D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 5.23D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.55D+02
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.156927D+03 -0.100806D-02 -0.182203D-02
      2  -0.100806D-02  0.155464D+03  0.347485D-01
      3  -0.182203D-02  0.347485D-01  0.122994D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.136100D+01 -0.404841D-01  0.243801D-02
      2  -0.226853D-01  0.320377D+01 -0.195352D+01
      3  -0.174027D-01 -0.182092D+01 -0.334474D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.904695D+02 -0.529399D+00  0.158584D-01
      2   0.968415D+02  0.560694D+00  0.159113D-01
      3  -0.637205D+01 -0.312951D-01 -0.317697D-01
      4  -0.551017D+00  0.993998D+02 -0.491150D+01
      5  -0.642627D-01  0.116208D+01 -0.914776D+01
      6  -0.942303D+01 -0.711832D-01 -0.531574D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.513342D+01 -0.419082D+01  0.361902D+01 -0.594734D+01  0.140420D+01
      2  -0.419082D+01  0.871864D+00 -0.571520D+00  0.140420D+01  0.294951D+01
      3   0.361902D+01 -0.571520D+00  0.937983D+00 -0.134670D+01  0.295271D+01
                 6             7             8             9            10 
      1  -0.134670D+01  0.230525D+01 -0.809096D+00  0.112457D+01  0.507846D+01
      2   0.295271D+01 -0.809096D+00  0.227914D+01  0.777716D+00  0.419864D+01
      3   0.588651D+00  0.112457D+01  0.777716D+00 -0.423089D+00 -0.360639D+01
                11            12            13            14            15 
      1   0.419864D+01 -0.360639D+01  0.596664D+01  0.147092D+01 -0.133976D+01
      2   0.927935D+00 -0.562576D+00  0.147092D+01 -0.293305D+01 -0.295822D+01
      3  -0.562576D+00  0.924358D+00 -0.133976D+01 -0.295822D+01 -0.584412D+00
                16            17            18            19            20 
      1  -0.229051D+01 -0.794852D+00  0.111680D+01 -0.979646D+01 -0.487333D+01
      2  -0.794852D+00 -0.228195D+01 -0.773201D+00 -0.487333D+01 -0.156942D+01
      3   0.111680D+01 -0.773201D+00  0.425009D+00  0.533983D+01  0.150978D+01
                21            22            23            24            25 
      1   0.533983D+01 -0.171657D+01 -0.693233D+00  0.273137D+00  0.341038D+01
      2   0.150978D+01 -0.693233D+00  0.171090D+01  0.137865D+01  0.129287D+01
      3  -0.226215D+01  0.273137D+00  0.137865D+01 -0.742167D+00 -0.209213D+01
                26            27            28            29            30 
      1   0.129287D+01 -0.209213D+01  0.182756D+01  0.116593D-01  0.393473D-02
      2   0.190673D+01 -0.100992D+01  0.116593D-01 -0.210139D+01 -0.163088D+01
      3  -0.100992D+01 -0.177316D+01  0.393473D-02 -0.163088D+01  0.231399D+00
                31            32            33            34            35 
      1   0.164020D-01 -0.205850D+01  0.196328D+01  0.901214D-02 -0.947549D-01
      2  -0.205850D+01 -0.730835D-02  0.174019D-02 -0.947549D-01  0.158328D-01
      3   0.196328D+01  0.174019D-02  0.387061D-02  0.142587D+00  0.390111D-02
                36            37            38            39            40 
      1   0.142587D+00  0.544955D+01  0.427492D+01 -0.204069D+01  0.644112D+01
      2   0.390111D-02  0.427492D+01  0.168406D+01 -0.320356D+01  0.372385D+01
      3   0.283804D-02 -0.204069D+01 -0.320356D+01  0.197213D+01 -0.393207D+01
                41            42            43            44            45 
      1   0.372385D+01 -0.393207D+01 -0.166395D+01 -0.203631D+01  0.252585D+01
      2   0.356250D+01 -0.269458D+01 -0.203631D+01 -0.142701D+01 -0.269446D-01
      3  -0.269458D+01  0.653465D+00  0.252585D+01 -0.269446D-01  0.755719D+00
                46            47            48            49            50 
      1  -0.319045D+01 -0.117840D+01 -0.219250D+00 -0.254032D+01 -0.271823D+01
      2  -0.117840D+01 -0.984127D+00  0.335946D+01 -0.271823D+01 -0.179893D+01
      3  -0.219250D+00  0.335946D+01 -0.198605D+01  0.342561D+01  0.276441D+01
                51            52            53            54            55 
      1   0.342561D+01  0.194310D+00  0.456572D+01 -0.296117D+01  0.637408D+00
      2   0.276441D+01  0.456572D+01  0.324811D+01 -0.894004D+00 -0.110466D+01
      3  -0.263414D+00 -0.296117D+01 -0.894004D+00  0.340955D+00  0.102159D+01
                56            57            58            59            60 
      1  -0.110466D+01  0.102159D+01 -0.322960D+00 -0.423581D+00 -0.289914D+01
      2  -0.243473D+01 -0.293531D+01 -0.423581D+00 -0.588690D+01 -0.349123D+01
      3  -0.293531D+01  0.898563D+00 -0.289914D+01 -0.349123D+01 -0.158229D+01
                61            62            63            64            65 
      1   0.160431D+01 -0.351252D+01  0.835579D+00  0.147359D+01  0.338415D+00
      2  -0.351252D+01 -0.494621D+01 -0.272189D+01  0.338415D+00  0.378549D+01
      3   0.835579D+00 -0.272189D+01 -0.197587D+00 -0.726641D+00  0.232285D+01
                66            67            68            69            70 
      1  -0.726641D+00 -0.291831D+00  0.956580D+00  0.163647D+01 -0.417897D+00
      2   0.232285D+01  0.956580D+00  0.119878D+02  0.507009D+01  0.975385D+00
      3  -0.518637D+00  0.163647D+01  0.507009D+01  0.174774D+01 -0.129581D+01
                71            72            73            74            75 
      1   0.975385D+00 -0.129581D+01 -0.981865D+01  0.484611D+01 -0.534119D+01
      2   0.325505D+01  0.200045D+01  0.484611D+01 -0.152454D+01  0.150206D+01
      3   0.200045D+01 -0.814133D+00 -0.534119D+01  0.150206D+01 -0.227576D+01
                76            77            78            79            80 
      1   0.167973D+01 -0.657939D+00  0.258868D+00 -0.341792D+01  0.129497D+01
      2  -0.657939D+00 -0.172020D+01 -0.137893D+01  0.129497D+01 -0.190853D+01
      3   0.258868D+00 -0.137893D+01  0.722175D+00 -0.210490D+01  0.993774D+00
                81            82            83            84            85 
      1  -0.210490D+01  0.548968D+01 -0.426837D+01  0.205425D+01 -0.644203D+01
      2   0.993774D+00 -0.426837D+01  0.167588D+01 -0.321688D+01  0.370559D+01
      3   0.177402D+01  0.205425D+01 -0.321688D+01  0.196646D+01 -0.394605D+01
                86            87            88            89            90 
      1   0.370559D+01 -0.394605D+01  0.166205D+01 -0.204012D+01  0.251798D+01
      2  -0.354412D+01  0.266586D+01 -0.204012D+01  0.140641D+01  0.354745D-01
      3   0.266586D+01 -0.647768D+00  0.251798D+01  0.354745D-01 -0.745831D+00
                91            92            93            94            95 
      1  -0.320993D+01  0.117428D+01  0.191512D+00  0.254431D+01 -0.272232D+01
      2   0.117428D+01 -0.998387D+00  0.337960D+01 -0.272232D+01  0.179053D+01
      3   0.191512D+00  0.337960D+01 -0.197592D+01  0.344332D+01 -0.273748D+01
                96            97            98            99           100 
      1   0.344332D+01 -0.226258D+00  0.458139D+01 -0.295056D+01  0.625145D+00
      2  -0.273748D+01  0.458139D+01 -0.320993D+01  0.875889D+00  0.112584D+01
      3   0.249871D+00 -0.295056D+01  0.875889D+00 -0.346661D+00 -0.991482D+00
               101           102           103           104           105 
      1   0.112584D+01 -0.991482D+00  0.330110D+00 -0.424314D+00 -0.291940D+01
      2  -0.244130D+01 -0.296034D+01 -0.424314D+00  0.583899D+01  0.345657D+01
      3  -0.296034D+01  0.877901D+00 -0.291940D+01  0.345657D+01  0.159493D+01
               106           107           108           109           110 
      1  -0.156991D+01 -0.354295D+01  0.809214D+00  0.147739D+01 -0.350881D+00
      2  -0.354295D+01  0.491644D+01  0.274067D+01 -0.350881D+00  0.382241D+01
      3   0.809214D+00  0.274067D+01  0.209767D+00  0.705973D+00  0.234522D+01
               111           112           113           114           115 
      1   0.705973D+00  0.290675D+00  0.995666D+00  0.165694D+01  0.407981D+00
      2   0.234522D+01  0.995666D+00 -0.119501D+02 -0.505141D+01  0.990282D+00
      3  -0.506525D+00  0.165694D+01 -0.505141D+01 -0.175673D+01 -0.128270D+01
               116           117           118           119           120 
      1   0.990282D+00 -0.128270D+01  0.511171D+01  0.235066D+00  0.153915D+01
      2  -0.326562D+01 -0.201947D+01  0.235066D+00  0.129698D+01 -0.263294D+00
      3  -0.201947D+01  0.812121D+00  0.153915D+01 -0.263294D+00  0.143828D+01
               121           122           123           124           125 
      1  -0.765616D+00  0.877427D+00 -0.559240D+00  0.267907D+01 -0.482830D+00
      2   0.877427D+00 -0.876716D+00  0.379705D+00 -0.482830D+00  0.850295D+00
      3  -0.559240D+00  0.379705D+00 -0.428394D+00  0.201838D+01  0.191412D-01
               126           127           128           129           130 
      1   0.201838D+01  0.455630D+01  0.300419D+01 -0.159192D+01  0.308697D+01
      2   0.191412D-01  0.300419D+01  0.268818D+01 -0.146444D+01  0.333473D+01
      3   0.212211D+01 -0.159192D+01 -0.146444D+01  0.143077D+01 -0.154425D+01
               131           132           133           134           135 
      1   0.333473D+01 -0.154425D+01 -0.284404D+01 -0.296583D+01  0.257746D+01
      2   0.562468D+01 -0.208091D+01 -0.296583D+01 -0.324068D+01  0.250536D+01
      3  -0.208091D+01  0.159332D+01  0.257746D+01  0.250536D+01 -0.276555D+01
               136           137           138           139           140 
      1  -0.249600D+01  0.108364D+01 -0.107413D+01  0.920442D+00 -0.112397D+01
      2   0.108364D+01 -0.222494D+01  0.891849D+00 -0.112397D+01  0.362690D+01
      3  -0.107413D+01  0.891849D+00 -0.115545D+01  0.557620D+00 -0.892513D+00
               141           142           143           144           145 
      1   0.557620D+00 -0.175867D+01  0.103605D+01 -0.103184D+01  0.151248D+01
      2  -0.892513D+00  0.103605D+01 -0.174014D+01  0.175584D+01  0.206869D+01
      3   0.989768D+00 -0.103184D+01  0.175584D+01 -0.221299D+01  0.581598D+00
               146           147           148           149           150 
      1   0.206869D+01  0.581598D+00  0.155543D+01  0.204762D+01  0.875354D+00
      2   0.242741D+01  0.955820D+00  0.204762D+01  0.948695D+01  0.291968D+01
      3   0.955820D+00  0.611975D+00  0.875354D+00  0.291968D+01  0.194266D+01
               151           152           153           154           155 
      1   0.507113D+00  0.160307D+01  0.809989D+00 -0.248029D+01 -0.108657D+01
      2   0.160307D+01  0.543734D+01  0.332182D+01 -0.108657D+01 -0.222570D+01
      3   0.809989D+00  0.332182D+01  0.252730D+01  0.106414D+01  0.893048D+00
               156           157           158           159           160 
      1   0.106414D+01 -0.926431D+00 -0.112182D+01  0.558582D+00  0.174575D+01
      2   0.893048D+00 -0.112182D+01 -0.365978D+01  0.900361D+00  0.103741D+01
      3  -0.114757D+01  0.558582D+00  0.900361D+00 -0.997218D+00 -0.102021D+01
               161           162           163           164           165 
      1   0.103741D+01 -0.102021D+01  0.153826D+01 -0.208254D+01 -0.594034D+00
      2   0.175452D+01 -0.176129D+01 -0.208254D+01  0.245305D+01  0.971039D+00
      3  -0.176129D+01  0.220475D+01 -0.594034D+00  0.971039D+00  0.626068D+00
               166           167           168           169           170 
      1  -0.156468D+01  0.206582D+01  0.887016D+00 -0.524756D+00  0.162706D+01
      2   0.206582D+01 -0.942685D+01 -0.291408D+01  0.162706D+01 -0.543152D+01
      3   0.887016D+00 -0.291408D+01 -0.194470D+01  0.829071D+00 -0.332713D+01
               171           172           173           174           175 
      1   0.829071D+00  0.511081D+01 -0.217666D+00 -0.153257D+01  0.784522D+00
      2  -0.332713D+01 -0.217666D+00  0.129448D+01 -0.270939D+00  0.878239D+00
      3  -0.254222D+01 -0.153257D+01 -0.270939D+00  0.143407D+01 -0.565741D+00
               176           177           178           179           180 
      1   0.878239D+00 -0.565741D+00 -0.266791D+01 -0.494534D+00  0.201310D+01
      2   0.896151D+00 -0.382911D+00 -0.494534D+00 -0.854221D+00 -0.779413D-02
      3  -0.382911D+00  0.436256D+00  0.201310D+01 -0.779413D-02 -0.211549D+01
               181           182           183           184           185 
      1   0.459322D+01 -0.301265D+01  0.160206D+01 -0.309792D+01  0.333865D+01
      2  -0.301265D+01  0.269309D+01 -0.146735D+01  0.333865D+01 -0.559875D+01
      3   0.160206D+01 -0.146735D+01  0.143450D+01 -0.154659D+01  0.206859D+01
               186           187           188           189           190 
      1  -0.154659D+01  0.286125D+01 -0.296659D+01  0.258257D+01  0.463153D+01
      2   0.206859D+01 -0.296659D+01  0.321727D+01 -0.249419D+01  0.938933D+00
      3  -0.158686D+01  0.258257D+01 -0.249419D+01  0.276024D+01  0.191554D+01
               191           192           193           194           195 
      1   0.938933D+00  0.191554D+01  0.267107D+01  0.133397D+00  0.192031D+01
      2   0.181605D+01  0.766594D+00  0.133397D+00  0.209866D+01 -0.584582D-01
      3   0.766594D+00  0.156336D+01  0.192031D+01 -0.584582D-01  0.144305D+01
               196           197           198           199           200 
      1   0.103613D+01  0.104860D+01  0.101149D+01 -0.168202D+01  0.135944D+01
      2   0.104860D+01  0.124863D+00  0.610600D+00  0.135944D+01 -0.102116D+01
      3   0.101149D+01  0.610600D+00  0.182318D+01 -0.120232D+00  0.104193D+01
               201           202           203           204           205 
      1  -0.120232D+00 -0.658366D-02 -0.295093D-01  0.317627D+00  0.125828D+01
      2   0.104193D+01 -0.295093D-01 -0.125644D+01  0.967063D+00 -0.289995D+00
      3  -0.168241D+01  0.317627D+00  0.967063D+00 -0.138033D+01  0.201187D+00
               206           207           208           209           210 
      1  -0.289995D+00  0.201187D+00 -0.361132D+01 -0.108801D+01 -0.163500D+01
      2   0.139274D+01 -0.141441D+01 -0.108801D+01 -0.379849D+01 -0.204650D+01
      3  -0.141441D+01  0.596371D+01 -0.163500D+01 -0.204650D+01 -0.193845D+01
               211           212           213           214           215 
      1  -0.167412D+01 -0.136459D+01 -0.981323D+00 -0.129645D+01 -0.875506D+00
      2  -0.136459D+01 -0.146541D+01 -0.281911D+00 -0.875506D+00  0.729178D-01
      3  -0.981323D+00 -0.281911D+00 -0.729258D+00 -0.100945D+01 -0.656597D+00
               216           217           218           219           220 
      1  -0.100945D+01  0.883782D+00 -0.693891D+00 -0.131071D+01 -0.494099D+00
      2  -0.656597D+00 -0.693891D+00  0.163082D+01  0.498045D+00 -0.833648D-01
      3  -0.187135D+01 -0.131071D+01  0.498045D+00  0.204003D+01 -0.231518D+00
               221           222           223           224           225 
      1  -0.833648D-01 -0.231518D+00 -0.112900D+01  0.225899D+00  0.117002D+01
      2   0.217070D+01  0.362590D+00  0.225899D+00 -0.155054D+01 -0.923044D+00
      3   0.362590D+00  0.640833D+00  0.117002D+01 -0.923044D+00 -0.580071D+01
               226           227           228           229           230 
      1   0.488331D+00  0.446030D+00  0.844301D+00  0.269315D+01 -0.124301D+01
      2   0.446030D+00 -0.108064D+01 -0.137702D+00 -0.124301D+01  0.595379D+01
      3   0.844301D+00 -0.137702D+00  0.206403D+00  0.953096D+00 -0.970909D+00
               231           232           233           234           235 
      1   0.953096D+00  0.183692D+01 -0.423095D+00  0.567350D+00  0.869090D+00
      2  -0.970909D+00 -0.423095D+00  0.115623D-01  0.500972D+00 -0.772610D+00
      3   0.130312D+01  0.567350D+00  0.500972D+00 -0.258241D+00  0.177311D-01
               236           237           238           239           240 
      1  -0.772610D+00  0.177311D-01 -0.128693D+01  0.100644D+00 -0.445627D+00
      2  -0.848130D-01 -0.384480D+00  0.100644D+00  0.757191D+00 -0.590303D+00
      3  -0.384480D+00  0.692516D+00 -0.445627D+00 -0.590303D+00 -0.347741D+00
               241           242           243           244           245 
      1  -0.195326D+01  0.277564D+00 -0.102503D+01 -0.362186D+01  0.109575D+01
      2   0.277564D+00 -0.102873D+01  0.121119D+01  0.109575D+01 -0.379858D+01
      3  -0.102503D+01  0.121119D+01 -0.737697D+01  0.164780D+01 -0.204296D+01
               246           247           248           249           250 
      1   0.164780D+01  0.167085D+01 -0.136042D+01 -0.977067D+00  0.130210D+01
      2  -0.204296D+01 -0.136042D+01  0.144027D+01  0.271630D+00 -0.870807D+00
      3  -0.194307D+01 -0.977067D+00  0.271630D+00  0.724202D+00 -0.101290D+01
               251           252           253           254           255 
      1  -0.870807D+00 -0.101290D+01  0.881778D+00  0.693467D+00  0.131370D+01
      2  -0.757124D-01  0.657119D+00  0.693467D+00  0.164687D+01  0.506449D+00
      3   0.657119D+00  0.187563D+01  0.131370D+01  0.506449D+00  0.204836D+01
               256           257           258           259           260 
      1   0.498873D+00 -0.703187D-01 -0.225377D+00  0.112834D+01  0.226452D+00
      2  -0.703187D-01 -0.216327D+01 -0.360290D+00  0.226452D+00  0.155525D+01
      3  -0.225377D+00 -0.360290D+00 -0.627542D+00  0.117104D+01  0.933735D+00
               261           262           263           264           265 
      1   0.117104D+01  0.465582D+01 -0.935748D+00 -0.191720D+01 -0.266032D+01
      2   0.933735D+00 -0.935748D+00  0.182359D+01  0.757451D+00  0.133938D+00
      3   0.580092D+01 -0.191720D+01  0.757451D+00  0.156010D+01  0.190878D+01
               266           267           268           269           270 
      1   0.133938D+00  0.190878D+01 -0.103168D+01  0.104653D+01  0.100364D+01
      2  -0.209438D+01  0.713689D-01  0.104653D+01 -0.111264D+00 -0.606250D+00
      3   0.713689D-01 -0.143086D+01  0.100364D+01 -0.606250D+00 -0.180762D+01
               271           272           273           274           275 
      1  -0.166850D+01 -0.136292D+01  0.117031D+00 -0.332505D-02 -0.367880D-01
      2  -0.136292D+01 -0.102841D+01  0.104000D+01 -0.367880D-01  0.124514D+01
      3   0.117031D+00  0.104000D+01 -0.168040D+01  0.318328D+00 -0.957453D+00
               276           277           278           279           280 
      1   0.318328D+00 -0.126093D+01 -0.295101D+00  0.205920D+00 -0.108610D+01
      2  -0.957453D+00 -0.295101D+00 -0.139494D+01  0.140905D+01 -0.739735D+00
      3   0.136583D+01  0.205920D+00  0.140905D+01 -0.597680D+01 -0.106430D+01
               281           282           283           284           285 
      1  -0.739735D+00 -0.106430D+01 -0.154621D+01 -0.131563D+01 -0.569920D+00
      2  -0.394939D+00 -0.181263D+00 -0.131563D+01 -0.419008D+01 -0.208871D+01
      3  -0.181263D+00 -0.454012D+00 -0.569920D+00 -0.208871D+01 -0.227374D+01
               286           287           288           289           290 
      1  -0.167960D+01 -0.423359D+00 -0.960200D+00 -0.982720D+01  0.245178D+01
      2  -0.423359D+00 -0.155367D+01 -0.149364D+01  0.245178D+01 -0.163075D+01
      3  -0.960200D+00 -0.149364D+01 -0.220179D+01 -0.268789D+01  0.656063D+00
               291           292           293           294           295 
      1  -0.268789D+01  0.487960D+01 -0.261750D+01  0.157679D+01 -0.299433D+01
      2   0.656063D+00 -0.261750D+01  0.138200D+01 -0.128758D+01  0.828664D+00
      3  -0.190528D+01  0.157679D+01 -0.128758D+01  0.940443D+00 -0.253454D+01
               296           297           298           299           300 
      1   0.828664D+00 -0.253454D+01 -0.979261D+01 -0.247670D+01  0.266884D+01
      2  -0.757519D+00  0.651402D+00 -0.247670D+01 -0.164764D+01  0.658421D+00
      3   0.651402D+00 -0.155924D+01  0.266884D+01  0.658421D+00 -0.189367D+01
               301           302           303           304           305 
      1  -0.491020D+01 -0.264559D+01  0.157856D+01  0.297365D+01  0.832772D+00
      2  -0.264559D+01 -0.141241D+01  0.129303D+01  0.832772D+00  0.761086D+00
      3   0.157856D+01  0.129303D+01 -0.945551D+00 -0.252281D+01 -0.659540D+00
               306           307           308           309           310 
      1  -0.252281D+01 -0.110863D+01  0.744872D+00  0.106820D+01  0.155754D+01
      2  -0.659540D+00  0.744872D+00 -0.412486D+00 -0.188734D+00 -0.133293D+01
      3   0.154768D+01  0.106820D+01 -0.188734D+00 -0.465105D+00 -0.579166D+00
               311           312           313           314           315 
      1  -0.133293D+01 -0.579166D+00  0.168414D+01 -0.427168D+00 -0.967614D+00
      2   0.417902D+01  0.208413D+01 -0.427168D+00  0.154927D+01  0.148892D+01
      3   0.208413D+01  0.227132D+01 -0.967614D+00  0.148892D+01  0.219858D+01
               316           317           318           319           320 
      1   0.856669D+00  0.777312D+00 -0.148717D-01  0.129669D+01  0.111075D+00
      2   0.777312D+00 -0.779224D-01 -0.383782D+00  0.111075D+00 -0.751471D+00
      3  -0.148717D-01 -0.383782D+00  0.684135D+00 -0.450293D+00  0.585610D+00
               321           322           323           324           325 
      1  -0.450293D+00  0.195136D+01  0.281656D+00 -0.102756D+01  0.508004D+00
      2   0.585610D+00  0.281656D+00  0.102773D+01 -0.120334D+01 -0.433536D+00
      3   0.363477D+00 -0.102756D+01 -0.120334D+01  0.737959D+01 -0.847677D+00
               326           327           328           329           330 
      1  -0.433536D+00 -0.847677D+00 -0.268662D+01 -0.123480D+01  0.949563D+00
      2  -0.105779D+01 -0.143168D+00 -0.123480D+01 -0.596550D+01  0.984088D+00
      3  -0.143168D+00  0.211084D+00  0.949563D+00  0.984088D+00 -0.130601D+01
               331           332           333 
      1  -0.183028D+01 -0.426933D+00  0.565633D+00
      2  -0.426933D+00 -0.438386D-02 -0.500375D+00
      3   0.565633D+00 -0.500375D+00  0.265331D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.218920D+01 -0.263163D+00 -0.142045D-01  0.460417D+00 -0.223148D+01
      2  -0.239016D+01 -0.710025D+01  0.787500D+01 -0.763286D+01 -0.851295D+01
      3  -0.777123D+01 -0.223888D+01  0.334675D+01  0.176310D+01  0.106467D+02
                 6             7             8             9            10 
      1  -0.438425D+01  0.875897D+00 -0.597558D+00 -0.425620D+00  0.220059D+01
      2  -0.628108D+01  0.235186D+01 -0.327704D+00 -0.119823D+00  0.243870D+01
      3   0.910601D+01  0.356349D+01  0.979802D+01  0.340122D+01  0.780305D+01
                11            12            13            14            15 
      1   0.329820D+00 -0.556158D-02 -0.395808D+00 -0.224464D+01 -0.439684D+01
      2  -0.713907D+01  0.787019D+01 -0.769718D+01  0.843199D+01  0.628271D+01
      3  -0.209686D+01  0.339930D+01  0.190548D+01 -0.106309D+02 -0.909132D+01
                16            17            18            19            20 
      1  -0.884087D+00 -0.590681D+00 -0.417585D+00  0.300120D+00  0.689389D+01
      2   0.231791D+01  0.314252D+00  0.137224D+00 -0.152868D+02  0.626480D+00
      3   0.361740D+01 -0.979483D+01 -0.338541D+01 -0.849793D+01  0.450859D+01
                21            22            23            24            25 
      1   0.105105D+01  0.165664D+02  0.148367D+02 -0.932532D+01  0.927094D+01
      2  -0.332354D+01 -0.152549D+01 -0.264182D+01 -0.637609D+00 -0.222592D+02
      3  -0.298521D+00  0.233961D+02  0.164670D+02 -0.862761D+01  0.222029D+01
                26            27            28            29            30 
      1   0.599669D+01 -0.124212D+02 -0.253711D+01 -0.701404D-02  0.111275D-01
      2  -0.819971D+01  0.210462D+02 -0.166968D-01  0.216629D+01  0.520424D+00
      3  -0.275929D+01  0.761093D+00 -0.247114D-02 -0.725073D+00  0.125510D+01
                31            32            33            34            35 
      1  -0.265897D-01  0.847438D+00 -0.826091D-01 -0.873766D-04 -0.221721D+01
      2   0.182268D-01 -0.178783D-02 -0.969971D-02  0.312628D+01  0.101032D-01
      3  -0.127627D+01  0.147271D-01  0.273449D-01  0.599338D+00  0.845504D-02
                36            37            38            39            40 
      1   0.164272D+00 -0.800916D+01  0.737207D+01  0.761711D+01  0.954725D+01
      2  -0.114069D-01 -0.176368D+02 -0.787031D+01  0.744484D+01  0.161844D+01
      3  -0.113860D-02 -0.227741D+02 -0.339858D+01  0.124617D+02  0.150673D+02
                41            42            43            44            45 
      1   0.911195D+01 -0.265432D+01  0.113159D+02  0.819874D+01 -0.733894D+01
      2  -0.259295D+00 -0.951609D+01 -0.159297D+02 -0.160869D+02  0.170812D+02
      3   0.137436D+02 -0.605358D+01  0.555112D+01 -0.512298D+01  0.264599D+01
                46            47            48            49            50 
      1   0.646019D+01 -0.376907D+01  0.319342D+01 -0.265349D+01 -0.689207D+01
      2  -0.416666D+01  0.507900D+01 -0.246932D+01  0.325076D+01  0.485403D+01
      3  -0.449845D+01  0.131067D+01 -0.901257D+01  0.788172D+01 -0.216686D+01
                51            52            53            54            55 
      1  -0.720114D+01  0.186097D+01 -0.312766D+01  0.120352D+01 -0.845436D+00
      2   0.350157D+01 -0.460512D+01  0.403870D+01 -0.123883D+01 -0.913128D+00
      3  -0.359496D+01 -0.131326D+02 -0.138021D+01 -0.592908D+01  0.690934D+01
                56            57            58            59            60 
      1   0.768481D+01 -0.769895D+01  0.956176D+01  0.137682D+01 -0.598058D+00
      2  -0.345539D+01  0.473359D+01 -0.318403D+01  0.107035D+01  0.816278D+00
      3  -0.627114D+01  0.167389D+01 -0.102786D+00 -0.714408D+00 -0.932286D+01
                61            62            63            64            65 
      1  -0.685079D+01  0.112997D+01 -0.138607D+01  0.690697D+00  0.249818D+01
      2   0.303015D+00  0.885980D+00  0.411288D+00 -0.288542D+01  0.158330D+02
      3   0.574545D+01 -0.117872D+02  0.633696D+01  0.351553D+00 -0.285904D+02
                66            67            68            69            70 
      1   0.704106D+01 -0.347099D+01 -0.152781D+02  0.261844D+01  0.675433D+01
      2   0.109137D+02  0.892568D+01 -0.404709D+01 -0.485435D+01  0.124735D+01
      3  -0.116872D+02 -0.894237D+01  0.871511D+01  0.797014D+01 -0.680155D+01
                71            72            73            74            75 
      1   0.263306D+02  0.176393D+02  0.344715D+00 -0.695507D+01 -0.983457D+00
      2  -0.110806D+01  0.198209D+01  0.153615D+02  0.630485D+00 -0.325362D+01
      3   0.225885D+01 -0.255664D+01  0.842496D+01  0.457186D+01 -0.313384D+00
                76            77            78            79            80 
      1  -0.165981D+02  0.147496D+02 -0.930247D+01 -0.921621D+01  0.597026D+01
      2  -0.155507D+01  0.270821D+01  0.622598D+00 -0.222432D+02  0.818212D+01
      3   0.234061D+02 -0.163589D+02  0.859314D+01  0.222609D+01  0.275819D+01
                81            82            83            84            85 
      1  -0.123451D+02 -0.801481D+01 -0.739175D+01 -0.767398D+01 -0.960467D+01
      2  -0.210993D+02  0.175563D+02 -0.787338D+01  0.739113D+01  0.165773D+01
      3  -0.795699D+00  0.226796D+02 -0.333521D+01  0.124766D+02  0.151798D+02
                86            87            88            89            90 
      1   0.905872D+01 -0.270656D+01 -0.113044D+02  0.809944D+01 -0.728858D+01
      2   0.226310D+00  0.957632D+01 -0.159888D+02  0.160687D+02 -0.170568D+02
      3  -0.137229D+02  0.612277D+01  0.553726D+01  0.516462D+01 -0.264693D+01
                91            92            93            94            95 
      1   0.642080D+01  0.380947D+01 -0.312245D+01  0.269790D+01 -0.681560D+01
      2   0.416913D+01  0.513273D+01 -0.243484D+01  0.328043D+01 -0.480674D+01
      3   0.448128D+01  0.137662D+01 -0.903433D+01  0.789833D+01  0.220617D+01
                96            97            98            99           100 
      1  -0.722260D+01 -0.179892D+01 -0.315438D+01  0.117967D+01 -0.761224D+00
      2  -0.356464D+01 -0.456446D+01 -0.410277D+01  0.123028D+01  0.946160D+00
      3   0.352473D+01 -0.131218D+02  0.128600D+01  0.592917D+01 -0.685781D+01
               101           102           103           104           105 
      1  -0.772497D+01  0.763607D+01 -0.959832D+01  0.136546D+01 -0.516538D+00
      2  -0.348050D+01  0.475441D+01 -0.322049D+01 -0.108770D+01 -0.798987D+00
      3  -0.635324D+01  0.162300D+01 -0.147703D+00  0.632568D+00  0.935349D+01
               106           107           108           109           110 
      1   0.679017D+01  0.120415D+01 -0.134675D+01  0.666071D+00 -0.250163D+01
      2   0.314790D+00 -0.880619D+00 -0.407961D+00  0.280596D+01  0.158124D+02
      3   0.567412D+01  0.118467D+02 -0.628567D+01 -0.226163D+00 -0.285421D+02
               111           112           113           114           115 
      1  -0.708657D+01  0.350874D+01 -0.153226D+02  0.253384D+01 -0.683729D+01
      2   0.108611D+02  0.893799D+01  0.408902D+01  0.490818D+01  0.121265D+01
      3  -0.116450D+02 -0.890388D+01 -0.884391D+01 -0.801407D+01 -0.677562D+01
               116           117           118           119           120 
      1   0.263037D+02  0.176611D+02 -0.450505D+01  0.100803D+01 -0.312871D+01
      2   0.119665D+01 -0.192829D+01  0.533542D+01 -0.104234D+01  0.538221D+01
      3  -0.228452D+01  0.254352D+01  0.120584D+02 -0.446523D+01  0.503230D+01
               121           122           123           124           125 
      1   0.155342D+01 -0.110613D+01  0.749862D+00 -0.442603D+01  0.225689D+01
      2  -0.190011D+01  0.145925D+01 -0.219890D+01  0.457620D+01 -0.632734D+00
      3  -0.388312D+01  0.708309D+01 -0.300153D+01  0.840240D+01 -0.490327D+01
               126           127           128           129           130 
      1  -0.613890D+01  0.142203D+01  0.908187D+00 -0.350602D+01  0.181808D+01
      2   0.714488D+01 -0.660894D+00 -0.108652D+01  0.349467D+01 -0.170602D+01
      3   0.505980D+01  0.453990D+01 -0.379055D+00 -0.863135D+00  0.755456D+00
               131           132           133           134           135 
      1   0.924793D+00 -0.395454D+01 -0.166648D+01  0.344163D+00  0.523281D+01
      2  -0.227179D+01  0.344820D+01  0.964067D+00  0.186417D+01 -0.480689D+01
      3  -0.562508D+01  0.862814D+00  0.129226D+01  0.391935D+01  0.146349D+00
               136           137           138           139           140 
      1   0.471955D+01 -0.350525D+01  0.513301D+01 -0.243626D+01  0.367948D+01
      2  -0.981598D+00  0.693613D+00  0.324060D+00  0.583434D+00 -0.744819D+00
      3  -0.122800D+02  0.367585D+01 -0.523579D+01  0.429940D+01 -0.695628D+01
               141           142           143           144           145 
      1  -0.389953D+01  0.445236D+01 -0.434110D+01  0.922600D+01 -0.438905D+00
      2   0.201065D+00 -0.225900D+01  0.516352D+00 -0.169835D+01 -0.378070D+00
      3   0.279211D+01 -0.844988D+01  0.478464D+01 -0.508455D+01  0.318878D+01
               146           147           148           149           150 
      1  -0.203143D+01 -0.185193D+01 -0.844701D+00 -0.341871D+01 -0.668203D+01
      2   0.419117D-01  0.855891D+00 -0.479210D+00  0.102949D+01  0.194256D+01
      3   0.377684D+01  0.102370D+01  0.503043D+01 -0.205249D+01 -0.335955D+00
               151           152           153           154           155 
      1  -0.425496D+00 -0.215803D+01 -0.660053D+01  0.467533D+01  0.352195D+01
      2  -0.140937D+01  0.306684D+00  0.203459D+01  0.980020D+00  0.705766D+00
      3   0.255557D+01  0.308628D+01 -0.267004D+00  0.122345D+02  0.373236D+01
               156           157           158           159           160 
      1  -0.510801D+01  0.244890D+01  0.370841D+01 -0.393886D+01 -0.440825D+01
      2   0.312866D+00  0.595047D+00  0.754934D+00 -0.215394D+00 -0.225835D+01
      3  -0.520528D+01  0.434782D+01  0.701576D+01 -0.281340D+01 -0.841543D+01
               161           162           163           164           165 
      1  -0.437609D+01  0.919836D+01 -0.460237D+00  0.204531D+01  0.189033D+01
      2  -0.544417D+00  0.172332D+01  0.381426D+00  0.524759D-01  0.874619D+00
      3  -0.482596D+01  0.506738D+01 -0.323697D+01  0.376169D+01  0.103194D+01
               166           167           168           169           170 
      1   0.872115D+00 -0.342475D+01 -0.667093D+01  0.455918D+00 -0.217269D+01
      2  -0.469131D+00 -0.104976D+01 -0.196630D+01 -0.140885D+01 -0.317763D+00
      3   0.500069D+01  0.207746D+01  0.332045D+00  0.258106D+01 -0.308896D+01
               171           172           173           174           175 
      1  -0.663310D+01 -0.447049D+01 -0.102037D+01  0.309706D+01 -0.156156D+01
      2  -0.207197D+01 -0.533604D+01 -0.107112D+01  0.537640D+01 -0.192533D+01
      3   0.250899D+00 -0.120443D+02 -0.451422D+01  0.502426D+01 -0.392529D+01
               176           177           178           179           180 
      1  -0.111990D+01  0.762950D+00  0.438470D+01  0.228920D+01 -0.609739D+01
      2  -0.148501D+01  0.223423D+01  0.457756D+01  0.674002D+00 -0.714898D+01
      3  -0.715439D+01  0.302965D+01  0.837814D+01  0.495152D+01 -0.506107D+01
               181           182           183           184           185 
      1   0.142350D+01 -0.900764D+00  0.350381D+01 -0.180631D+01  0.898296D+00
      2   0.670015D+00 -0.109240D+01  0.351666D+01 -0.171354D+01  0.225430D+01
      3  -0.454946D+01 -0.420395D+00 -0.856888D+00  0.715816D+00  0.562563D+01
               186           187           188           189           190 
      1  -0.392973D+01  0.165350D+01  0.358557D+00  0.520533D+01  0.459602D+01
      2  -0.344791D+01  0.963633D+00 -0.184466D+01  0.481289D+01 -0.323383D+01
      3  -0.860542D+00  0.129887D+01 -0.389506D+01 -0.148771D+00 -0.729404D+01
               191           192           193           194           195 
      1   0.413453D+01  0.319410D+01  0.429109D+01  0.561502D+01  0.195036D+01
      2  -0.105932D+01  0.673504D+00 -0.456829D+01  0.475974D+00 -0.424894D+00
      3  -0.594639D+01 -0.356051D+01 -0.636206D+01 -0.666892D+01 -0.354026D+01
               196           197           198           199           200 
      1   0.219663D+01  0.223358D+01  0.275441D+01  0.155922D+01 -0.178761D+01
      2   0.629148D+00  0.581550D+00  0.121910D+01 -0.370980D+00  0.238790D+01
      3  -0.208356D+01 -0.834843D+00 -0.301778D+01 -0.200850D+01  0.241900D+01
               201           202           203           204           205 
      1  -0.675848D+00  0.431040D+00 -0.518614D+00 -0.680705D+00 -0.948726D-02
      2  -0.561908D+01  0.149278D+01  0.178047D+01 -0.281744D+01 -0.169307D+01
      3  -0.275321D+01  0.133689D+01  0.139475D+01 -0.187810D+01 -0.226363D+00
               206           207           208           209           210 
      1   0.142880D+01  0.414796D+01 -0.303267D+01  0.312128D+01 -0.191029D+01
      2  -0.291344D+01  0.117965D+02 -0.835482D+01 -0.363424D+01 -0.320330D+01
      3  -0.235204D+01  0.245715D+01  0.122528D+02  0.338313D+01  0.562119D+01
               211           212           213           214           215 
      1   0.188450D+00 -0.754733D+00 -0.162959D+01 -0.239497D+01 -0.566742D+00
      2  -0.189351D+01 -0.107540D+01 -0.114099D+01 -0.255020D+01 -0.487019D+00
      3   0.296899D+01  0.199273D+01  0.135975D+01  0.227474D+01  0.140397D+01
               216           217           218           219           220 
      1  -0.244610D+01 -0.234157D+01 -0.407627D+00  0.504311D+01 -0.338518D+00
      2  -0.187039D+01  0.191667D+01 -0.156959D+01 -0.163304D+01  0.659440D+00
      3   0.305597D+01 -0.236997D+01  0.112612D+01  0.306332D+01  0.370543D-02
               221           222           223           224           225 
      1   0.629315D+00  0.281224D+01  0.233844D+01  0.931264D-01 -0.120304D+02
      2  -0.199792D+01 -0.129676D+01 -0.261408D+01  0.645949D+00  0.192874D+01
      3   0.288095D+01  0.139362D+01  0.226512D+01 -0.103023D+01 -0.256639D+01
               226           227           228           229           230 
      1   0.364338D+00 -0.873585D+00  0.747739D+00  0.215255D+01 -0.102872D+02
      2   0.128376D+01  0.722393D+00  0.150708D+01  0.290672D+01  0.557644D+00
      3   0.705143D+00  0.445777D+00 -0.469657D+00  0.118658D+01  0.125123D+02
               231           232           233           234           235 
      1  -0.356342D-01  0.217336D+01 -0.215975D+01  0.609921D-01 -0.143580D+01
      2  -0.955062D+00  0.196640D+01 -0.189173D+01  0.929666D+00  0.152776D+01
      3  -0.145632D+01  0.371144D+00  0.193743D+01  0.572690D+00  0.166873D+01
               236           237           238           239           240 
      1   0.676964D+00 -0.177899D+01  0.814348D+00  0.110369D+00  0.166445D+01
      2   0.110867D+01 -0.252554D+01 -0.393172D+00  0.161317D+01  0.712974D+00
      3  -0.736526D+00 -0.402865D+00 -0.569458D-01  0.645480D+00 -0.173758D+01
               241           242           243           244           245 
      1   0.151701D+01  0.682192D+00  0.708960D+01 -0.304510D+01 -0.310521D+01
      2  -0.165634D+01 -0.269435D+01  0.142097D+02  0.835024D+01 -0.362707D+01
      3  -0.238134D+01 -0.145268D+01  0.144025D+01 -0.122616D+02  0.335207D+01
               246           247           248           249           250 
      1   0.193752D+01 -0.187284D+00 -0.771677D+00 -0.162872D+01  0.240863D+01
      2  -0.319935D+01 -0.186881D+01  0.105139D+01  0.112552D+01 -0.254236D+01
      3   0.562764D+01  0.293184D+01 -0.197809D+01 -0.134404D+01  0.228174D+01
               251           252           253           254           255 
      1  -0.559805D+00 -0.245671D+01 -0.234418D+01  0.401910D+00 -0.506189D+01
      2   0.484344D+00  0.186528D+01 -0.193106D+01 -0.158516D+01 -0.165565D+01
      3  -0.140809D+01 -0.306527D+01  0.237828D+01  0.114927D+01  0.307739D+01
               256           257           258           259           260 
      1   0.324704D+00  0.608668D+00  0.277364D+01 -0.234033D+01  0.727525D-01
      2   0.644361D+00  0.199673D+01  0.129757D+01 -0.262326D+01 -0.659306D+00
      3   0.198738D-01 -0.287089D+01 -0.138198D+01  0.226809D+01  0.104207D+01
               261           262           263           264           265 
      1  -0.120205D+02  0.461451D+01 -0.413987D+01 -0.318153D+01 -0.427348D+01
      2  -0.197432D+01  0.328063D+01 -0.107631D+01  0.665832D+00 -0.458763D+01
      3   0.257946D+01  0.735611D+01 -0.597635D+01 -0.355585D+01 -0.637808D+01
               266           267           268           269           270 
      1   0.560223D+01  0.191524D+01 -0.218550D+01  0.221143D+01  0.272977D+01
      2  -0.452402D+00  0.431129D+00  0.639698D+00 -0.571178D+00 -0.120490D+01
      3   0.666933D+01  0.350499D+01 -0.206452D+01  0.808557D+00  0.299808D+01
               271           272           273           274           275 
      1   0.153977D+01  0.177603D+01  0.697248D+00 -0.431227D+00 -0.502252D+00
      2   0.382177D+00  0.239307D+01 -0.561622D+01  0.149398D+01 -0.175836D+01
      3   0.200494D+01  0.241792D+01 -0.274287D+01  0.134208D+01 -0.136927D+01
               276           277           278           279           280 
      1  -0.682020D+00  0.859876D-02  0.142857D+01  0.420128D+01  0.773159D+00
      2   0.277459D+01 -0.168127D+01  0.290174D+01 -0.118187D+02  0.400369D+01
      3   0.186076D+01 -0.224033D+00  0.235216D+01 -0.244024D+01 -0.290217D+01
               281           282           283           284           285 
      1   0.726976D-01  0.144124D+00  0.134989D+01  0.526356D+01  0.655748D+00
      2  -0.551425D+00  0.341851D+00 -0.506229D+00  0.619485D+01  0.823020D+01
      3  -0.879260D+00 -0.511650D+00 -0.141058D+01 -0.161536D+02 -0.754605D+01
               286           287           288           289           290 
      1   0.136526D+00  0.299207D+01  0.118859D+01 -0.123479D+01  0.152845D+01
      2  -0.360171D+00  0.524853D+01  0.634129D+01 -0.141166D+01 -0.174733D+00
      3  -0.120375D+01 -0.579797D+01 -0.589921D+01  0.422286D+01 -0.631902D+01
               291           292           293           294           295 
      1  -0.583677D-01  0.168770D+01 -0.139888D+01 -0.698228D-01 -0.196787D-01
      2   0.567890D+01  0.435979D+01  0.114744D+01 -0.122596D+01  0.251313D+01
      3   0.191859D+01 -0.309423D+01  0.464540D+01 -0.336653D+01 -0.280469D+00
               296           297           298           299           300 
      1   0.130957D+01  0.538237D-01 -0.123196D+01 -0.152356D+01  0.337928D-01
      2  -0.160977D+01  0.276570D+01  0.139137D+01 -0.169214D+00  0.567281D+01
      3  -0.311361D+01  0.101151D+01 -0.421408D+01 -0.633268D+01  0.190464D+01
               301           302           303           304           305 
      1  -0.171018D+01 -0.140696D+01 -0.800384D-01  0.111680D-01  0.129762D+01
      2   0.438048D+01 -0.113028D+01  0.125258D+01  0.251056D+01  0.162402D+01
      3  -0.311443D+01 -0.470322D+01  0.337068D+01 -0.285196D+00  0.310660D+01
               306           307           308           309           310 
      1   0.617075D-01  0.787065D+00 -0.998629D-01 -0.149220D+00 -0.137301D+01
      2  -0.274228D+01 -0.399261D+01 -0.528687D+00  0.387123D+00 -0.481140D+00
      3  -0.101504D+01  0.290092D+01 -0.962990D+00 -0.552543D+00 -0.150342D+01
               311           312           313           314           315 
      1   0.526319D+01  0.672058D+00 -0.151015D+00  0.300302D+01  0.120190D+01
      2  -0.616637D+01 -0.822596D+01 -0.324909D+00 -0.523226D+01 -0.633541D+01
      3   0.161482D+02  0.753901D+01 -0.123529D+01  0.579499D+01  0.589440D+01
               316           317           318           319           320 
      1  -0.142352D+01 -0.687316D+00  0.177505D+01 -0.827559D+00  0.114791D+00
      2  -0.152599D+01  0.109469D+01 -0.250211D+01 -0.399863D+00 -0.160652D+01
      3  -0.167262D+01 -0.748903D+00 -0.395687D+00 -0.754458D-01 -0.640788D+00
               321           322           323           324           325 
      1   0.168996D+01 -0.152040D+01  0.672404D+00  0.714915D+01  0.385149D+00
      2  -0.744688D+00 -0.165641D+01  0.266860D+01 -0.141884D+02 -0.130848D+01
      3   0.173986D+01 -0.238871D+01  0.143673D+01 -0.141064D+01 -0.698558D+00
               326           327           328           329           330 
      1   0.911551D+00 -0.750749D+00 -0.213573D+01 -0.102849D+02 -0.214442D-01
      2   0.720556D+00  0.150228D+01  0.290180D+01 -0.599522D+00  0.964431D+00
      3   0.492637D+00 -0.482133D+00  0.120467D+01 -0.125064D+02  0.148288D+01
               331           332           333 
      1  -0.216621D+01 -0.215384D+01  0.617043D-01
      2   0.194816D+01  0.189250D+01 -0.935951D+00
      3   0.366429D+00 -0.191343D+01 -0.575331D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.260510D+02  0.263195D+02 -0.227604D+02  0.318864D+02 -0.361563D+01
      2   0.168866D+02 -0.151834D+02  0.114756D+02 -0.185734D+02  0.351264D+01
      3   0.916447D+01 -0.111361D+02  0.112848D+02 -0.133130D+02  0.102991D+00
      4   0.235966D+02 -0.680445D+01  0.423021D+01 -0.907937D+01 -0.112208D+02
      5  -0.226223D+02  0.570222D+01 -0.822046D+01  0.101485D+02 -0.187331D+02
      6   0.755704D+01 -0.770695D+00 -0.664019D+00 -0.469143D+01 -0.492107D+01
                 6             7             8             9            10 
      1   0.783043D+01 -0.148421D+02  0.530088D+01 -0.436569D+01 -0.256793D+02
      2  -0.479906D+01  0.649376D+01 -0.336951D+01  0.269869D+00  0.165615D+02
      3  -0.303137D+01  0.834831D+01 -0.193137D+01  0.409582D+01  0.911777D+01
      4  -0.161613D+02  0.463656D+01 -0.136451D+02 -0.339321D+01 -0.237230D+02
      5  -0.539120D+01 -0.792536D+01 -0.349295D+01  0.263861D+01  0.224710D+02
      6  -0.631543D+01  0.158268D+00 -0.558916D+01 -0.160679D+01  0.758801D+01
                11            12            13            14            15 
      1  -0.263586D+02  0.226875D+02 -0.319730D+02 -0.405681D+01  0.771442D+01
      2   0.151649D+02 -0.113921D+02  0.185827D+02  0.377237D+01 -0.469294D+01
      3   0.111937D+02 -0.112954D+02  0.133903D+02  0.284442D+00 -0.302148D+01
      4  -0.716927D+01  0.423704D+01 -0.951670D+01  0.111373D+02  0.162345D+02
      5   0.562887D+01 -0.813941D+01  0.100644D+02  0.188257D+02  0.540614D+01
      6   0.849945D+00  0.687613D+00  0.479813D+01 -0.481708D+01 -0.626797D+01
                16            17            18            19            20 
      1   0.147449D+02  0.516461D+01 -0.430111D+01  0.199008D+02  0.137984D+02
      2  -0.640331D+01 -0.325132D+01  0.255632D+00 -0.196757D+02 -0.100634D+02
      3  -0.834161D+01 -0.191329D+01  0.404548D+01 -0.225142D+00 -0.373502D+01
      4   0.459685D+01  0.137005D+02  0.339407D+01  0.520892D+01 -0.939337D+00
      5  -0.787109D+01  0.350701D+01 -0.266195D+01 -0.124954D+02 -0.334033D+01
      6  -0.133791D+00 -0.556912D+01 -0.160449D+01 -0.777198D+01  0.135492D+01
                21            22            23            24            25 
      1  -0.134159D+02  0.556952D+01  0.332734D+01  0.166170D+01 -0.553274D+01
      2   0.123565D+02 -0.447648D+01 -0.977941D+01  0.548988D+00  0.590894D+01
      3   0.105947D+01 -0.109304D+01  0.645207D+01 -0.221068D+01 -0.376194D+00
      4  -0.101835D+01 -0.918416D+00 -0.126806D+02 -0.128151D+01 -0.896892D+00
      5   0.803583D+01 -0.167573D+01 -0.251606D+01  0.162013D+01  0.557673D+01
      6   0.162207D+01  0.191118D+00  0.501840D+01  0.313722D+01  0.224168D+00
                26            27            28            29            30 
      1  -0.614214D+00  0.117861D+02 -0.121216D+02 -0.556485D-02  0.221579D-01
      2  -0.630442D+00  0.446869D+01  0.260842D+01  0.278219D-03 -0.269183D-01
      3   0.124466D+01 -0.162548D+02  0.951314D+01  0.528664D-02  0.476041D-02
      4   0.605775D+00 -0.176794D+01 -0.571019D-03 -0.635002D+01 -0.496824D+01
      5  -0.480105D+00  0.778697D+01  0.187351D-01 -0.290838D+01 -0.211280D+01
      6   0.278449D+01  0.305169D+01 -0.261266D+01 -0.536812D-02  0.628559D-02
                31            32            33            34            35 
      1  -0.145018D-01  0.241984D+01 -0.527610D+01  0.176291D-01 -0.815788D+01
      2   0.120486D-01 -0.112534D+02  0.656401D+01 -0.228508D-01  0.892115D+01
      3   0.245323D-02  0.883360D+01 -0.128791D+01  0.522165D-02 -0.763274D+00
      4  -0.790778D+01  0.314163D-02 -0.244264D-01 -0.833404D+01 -0.159995D-01
      5  -0.268234D+01 -0.648275D-02 -0.678258D-02  0.504717D+01 -0.394254D-02
      6  -0.498449D-02  0.349818D+01 -0.190334D+01  0.883512D-02  0.381362D+01
                36            37            38            39            40 
      1  -0.140523D+00 -0.835329D+01  0.145307D+01  0.109436D+02  0.465754D+00
      2  -0.198796D+00  0.129632D+02 -0.343110D+01 -0.826274D+01  0.153664D+01
      3   0.339319D+00 -0.460993D+01  0.197803D+01 -0.268083D+01 -0.200239D+01
      4  -0.440740D-02  0.128795D+02  0.759306D+01 -0.889813D+01  0.120292D+02
      5   0.134112D-01  0.288728D+01 -0.120220D+02  0.228647D+01 -0.115897D+02
      6  -0.759116D+00 -0.423659D+01 -0.568544D+01  0.686906D+01 -0.485212D+01
                41            42            43            44            45 
      1  -0.675592D+01 -0.534890D+01  0.923755D+01 -0.550537D+01  0.646523D+01
      2   0.632932D+01 -0.484553D+01 -0.486974D+01 -0.767708D+00  0.306972D+01
      3   0.426595D+00  0.101944D+02 -0.436780D+01  0.627308D+01 -0.953496D+01
      4   0.109855D+02 -0.104161D+02 -0.283926D+01 -0.604580D+01  0.296396D+01
      5  -0.522262D+01  0.387158D+01  0.120215D+01  0.111641D+01  0.193857D+01
      6  -0.358996D+01  0.943782D+00  0.431740D+01 -0.363316D+00  0.698264D+01
                46            47            48            49            50 
      1  -0.867098D+01  0.156533D+01 -0.136940D+02  0.233732D+01 -0.128873D+01
      2   0.228772D+01 -0.247498D+01  0.179530D+02 -0.786958D+01 -0.456288D+00
      3   0.638326D+01  0.909653D+00 -0.425899D+01  0.553227D+01  0.174502D+01
      4  -0.146085D+02 -0.899924D+01  0.921289D+01 -0.167884D+02 -0.132379D+02
      5  -0.310759D+01  0.136603D+02 -0.920685D+01  0.145560D+02  0.135923D+02
      6   0.243128D+01  0.156273D+02 -0.102201D+02  0.160953D+02  0.132646D+02
                51            52            53            54            55 
      1   0.603375D+01 -0.160271D+02  0.707410D+01 -0.937443D+01  0.457620D+01
      2   0.789549D+01  0.200231D+02  0.528041D+01  0.465672D+01 -0.479930D+01
      3  -0.139292D+02 -0.399609D+01 -0.123545D+02  0.471770D+01  0.223099D+00
      4   0.214587D+02  0.134776D+02  0.248936D+02 -0.118357D+02  0.313982D+01
      5  -0.206791D+01 -0.137075D+02 -0.452526D+01  0.150939D+01  0.123895D+01
      6  -0.547270D+01 -0.128438D+02 -0.577792D+01  0.256217D+01  0.469648D+01
                56            57            58            59            60 
      1   0.497232D+01  0.107496D+02  0.206065D+01  0.189833D+02  0.400370D+01
      2  -0.822701D+01 -0.203320D+02 -0.745147D+00 -0.286628D+02 -0.154364D+02
      3   0.325468D+01  0.958235D+01 -0.131550D+01  0.967946D+01  0.114327D+02
      4  -0.990284D+01  0.189668D-01 -0.360145D+01 -0.129576D+02 -0.212251D+02
      5  -0.325384D+01 -0.895297D+00 -0.349815D+01 -0.957856D+01 -0.448422D+01
      6  -0.187738D+02  0.377008D+01 -0.178855D+02 -0.212657D+02 -0.120311D+02
                61            62            63            64            65 
      1   0.134650D+02  0.874575D+01  0.108306D+02  0.220281D+01 -0.610357D+01
      2  -0.215950D+02 -0.194611D+02 -0.148485D+02 -0.105965D+01  0.641038D+01
      3   0.812997D+01  0.107153D+02  0.401784D+01 -0.114316D+01 -0.306806D+00
      4   0.186126D+01 -0.245862D+02  0.136155D+01  0.841465D+01  0.208957D+01
      5  -0.278890D+00 -0.393644D+01 -0.138689D+01  0.295380D+01 -0.299315D+01
      6   0.428635D+01 -0.174542D+02 -0.133283D+01 -0.692845D+01  0.875540D+01
                66            67            68            69            70 
      1  -0.126836D+01 -0.578221D+01 -0.120180D+02 -0.509493D+01 -0.241954D+01
      2   0.113420D+02  0.245708D+01  0.150589D+02  0.802195D+01  0.100129D+02
      3  -0.100736D+02  0.332512D+01 -0.304092D+01 -0.292702D+01 -0.759339D+01
      4  -0.278300D+01 -0.208940D+01  0.178690D+02  0.127131D+02 -0.312543D+01
      5  -0.372649D+01 -0.199725D+01  0.183786D+01  0.286087D+01 -0.246869D+01
      6   0.120711D+00  0.946262D+01  0.126793D+02  0.612605D+01 -0.146375D+01
                71            72            73            74            75 
      1  -0.197249D+01  0.126481D+01  0.199793D+02 -0.137380D+02  0.133752D+02
      2   0.120377D+01  0.690914D+01 -0.197208D+02  0.100400D+02 -0.123604D+02
      3   0.768723D+00 -0.817394D+01 -0.258516D+00  0.369798D+01 -0.101488D+01
      4   0.617271D+01 -0.764262D+00 -0.502934D+01 -0.111276D+01 -0.933764D+00
      5   0.173877D+01 -0.551869D+01  0.125325D+02 -0.332397D+01  0.808008D+01
      6   0.289999D+01 -0.523093D+01 -0.770931D+01 -0.141516D+01 -0.162438D+01
                76            77            78            79            80 
      1  -0.548844D+01  0.311853D+01  0.168199D+01  0.552595D+01 -0.629804D+00
      2   0.442247D+01 -0.961970D+01  0.458920D+00 -0.591757D+01 -0.693481D+00
      3   0.106596D+01  0.650117D+01 -0.214091D+01  0.391618D+00  0.132328D+01
      4  -0.104552D+01  0.127193D+02  0.129820D+01 -0.860579D+00 -0.593204D+00
      5  -0.163603D+01  0.249274D+01 -0.156366D+01  0.559766D+01  0.518861D+00
      6  -0.252111D+00  0.498871D+01  0.312535D+01 -0.223159D+00  0.277035D+01
                81            82            83            84            85 
      1   0.118383D+02 -0.820583D+01 -0.144753D+01 -0.109051D+02 -0.492856D+00
      2   0.444172D+01  0.128530D+02  0.349815D+01  0.827840D+01 -0.142357D+01
      3  -0.162800D+02 -0.464720D+01 -0.205061D+01  0.262669D+01  0.191643D+01
      4   0.181703D+01 -0.130175D+02  0.760371D+01 -0.902233D+01  0.120363D+02
      5  -0.777043D+01 -0.281372D+01 -0.120891D+02  0.226275D+01 -0.116426D+02
      6   0.308366D+01 -0.427673D+01  0.569053D+01 -0.689466D+01  0.483805D+01
                86            87            88            89            90 
      1  -0.667113D+01 -0.548873D+01 -0.923898D+01 -0.562159D+01  0.643121D+01
      2   0.628731D+01 -0.472713D+01  0.489089D+01 -0.669608D+00  0.301374D+01
      3   0.383825D+00  0.102159D+02  0.434809D+01  0.629119D+01 -0.944494D+01
      4  -0.110055D+02  0.103965D+02 -0.291604D+01  0.602343D+01 -0.295192D+01
      5   0.513779D+01 -0.389997D+01  0.116097D+01 -0.113731D+01 -0.194579D+01
      6  -0.354288D+01  0.868627D+00 -0.434031D+01 -0.407423D+00  0.696476D+01
                91            92            93            94            95 
      1  -0.878538D+01 -0.160494D+01  0.136011D+02 -0.228937D+01 -0.142596D+01
      2   0.236294D+01  0.251318D+01 -0.179507D+02  0.781165D+01 -0.360786D+00
      3   0.642243D+01 -0.908244D+00  0.434960D+01 -0.552228D+01  0.178675D+01
      4   0.146443D+02 -0.904354D+01  0.945429D+01 -0.168495D+02  0.132412D+02
      5   0.298422D+01  0.138092D+02 -0.920142D+01  0.146978D+02 -0.135229D+02
      6   0.257964D+01 -0.156523D+02  0.101547D+02 -0.161023D+02  0.131033D+02
                96            97            98            99           100 
      1   0.627903D+01  0.159068D+02  0.735759D+01 -0.941632D+01  0.464398D+01
      2   0.765710D+01 -0.199620D+02  0.499201D+01  0.474537D+01 -0.488835D+01
      3  -0.139361D+02  0.405524D+01 -0.123496D+02  0.467095D+01  0.244374D+00
      4  -0.214451D+02  0.137322D+02 -0.248371D+02  0.117038D+02 -0.302897D+01
      5   0.203694D+01 -0.137076D+02  0.445420D+01 -0.153271D+01 -0.122683D+01
      6  -0.538764D+01  0.127468D+02 -0.567372D+01  0.256694D+01  0.451072D+01
               101           102           103           104           105 
      1  -0.489394D+01 -0.107833D+02 -0.202157D+01  0.187768D+02  0.375801D+01
      2   0.812460D+01  0.204347D+02  0.682860D+00 -0.283349D+02 -0.150930D+02
      3  -0.323066D+01 -0.965143D+01  0.133871D+01  0.955812D+01  0.113350D+02
      4  -0.100638D+02 -0.228590D+00 -0.368032D+01  0.129495D+02  0.213125D+02
      5  -0.338747D+01 -0.930095D+00 -0.361971D+01  0.962850D+01  0.456065D+01
      6   0.189188D+02 -0.362558D+01  0.179957D+02 -0.210234D+02 -0.120985D+02
               106           107           108           109           110 
      1  -0.135303D+02  0.847947D+01  0.108533D+02  0.220328D+01  0.612757D+01
      2   0.217193D+02 -0.191165D+02 -0.149216D+02 -0.109543D+01 -0.641433D+01
      3  -0.818899D+01  0.106371D+02  0.406833D+01 -0.110785D+01  0.286765D+00
      4   0.158513D+01  0.247439D+02 -0.115340D+01 -0.839408D+01  0.217519D+01
      5  -0.300713D+00  0.405758D+01  0.141782D+01 -0.292819D+01 -0.295643D+01
      6  -0.410860D+01 -0.175551D+02 -0.141563D+01 -0.684630D+01 -0.884550D+01
               111           112           113           114           115 
      1   0.130075D+01  0.583570D+01 -0.117893D+02 -0.499424D+01  0.245325D+01
      2  -0.113771D+02 -0.250271D+01  0.148000D+02  0.783870D+01 -0.100380D+02
      3   0.100763D+02 -0.333299D+01 -0.301075D+01 -0.284447D+01  0.758479D+01
      4  -0.266216D+01 -0.202628D+01 -0.179409D+02 -0.127597D+02 -0.303582D+01
      5  -0.368943D+01 -0.196614D+01 -0.188921D+01 -0.290070D+01 -0.244745D+01
      6  -0.188725D+00 -0.953492D+01  0.126030D+02  0.615040D+01  0.141251D+01
               116           117           118           119           120 
      1  -0.192992D+01  0.125749D+01  0.321432D+02 -0.232792D+01  0.105778D+02
      2   0.110726D+01  0.696090D+01 -0.182651D+02  0.515631D+01 -0.743454D+01
      3   0.822655D+00 -0.821839D+01 -0.138782D+02 -0.282839D+01 -0.314327D+01
      4  -0.621895D+01  0.704493D+00  0.165515D+02  0.740548D+01  0.329797D+01
      5  -0.176777D+01  0.552294D+01  0.107553D+02 -0.173423D+01  0.947908D+01
      6   0.294051D+01 -0.517654D+01  0.512174D+01 -0.664613D+00  0.536451D+01
               121           122           123           124           125 
      1  -0.832646D+01  0.642650D+01 -0.424527D+01  0.172732D+02 -0.305999D+01
      2   0.744054D+01 -0.586551D+01  0.273558D+01 -0.128205D+02  0.465201D+01
      3   0.885919D+00 -0.560989D+00  0.150969D+01 -0.445271D+01 -0.159202D+01
      4   0.381323D+01 -0.346688D+00  0.241047D+00  0.743496D+01  0.220900D+01
      5  -0.333167D+01  0.255233D+01 -0.225853D+01  0.135706D+02  0.173240D+00
      6  -0.166554D+01  0.638929D+00  0.334986D+00  0.785858D+01  0.204500D+01
               126           127           128           129           130 
      1   0.941224D+01  0.145359D+02  0.698950D+01 -0.383667D+01  0.228790D+01
      2  -0.785604D+01  0.224312D+00  0.473304D+01 -0.965204D+00  0.111226D+02
      3  -0.155620D+01 -0.147602D+02 -0.117225D+02  0.480187D+01 -0.134105D+02
      4   0.572961D+01  0.295976D+02  0.240176D+02 -0.128164D+02  0.263660D+02
      5   0.126362D+02 -0.115176D+02 -0.954480D+01  0.100689D+02 -0.903563D+01
      6   0.790068D+01 -0.112945D+02 -0.970635D+01  0.843362D+01 -0.121143D+02
               131           132           133           134           135 
      1  -0.638750D+01  0.143021D+01 -0.238563D+01  0.159487D+01 -0.265110D-01
      2   0.242173D+02 -0.760859D+01 -0.355967D+01 -0.851267D+01  0.242228D+01
      3  -0.178298D+02  0.617838D+01  0.594530D+01  0.691780D+01 -0.239577D+01
      4   0.333204D+02 -0.148333D+02 -0.201736D+02 -0.207377D+02  0.174676D+02
      5  -0.116303D+02  0.795256D+01  0.152104D+02  0.125631D+02 -0.149852D+02
      6  -0.173059D+02  0.126434D+02  0.148728D+02  0.171215D+02 -0.175704D+02
               136           137           138           139           140 
      1  -0.549354D+01  0.859861D+01 -0.379653D+01  0.507609D+01 -0.162594D+02
      2   0.827844D+01 -0.154505D+02  0.647671D+01 -0.834591D+01  0.269685D+02
      3  -0.278489D+01  0.685186D+01 -0.268019D+01  0.326983D+01 -0.107091D+02
      4  -0.147916D+02  0.840248D+01 -0.614166D+01  0.641104D+01 -0.483552D+01
      5   0.152735D+01 -0.389827D+00  0.147528D+01 -0.406014D+00  0.987357D+00
      6  -0.758738D+01  0.683440D+01 -0.749706D+01  0.455223D+01 -0.725392D+01
               141           142           143           144           145 
      1   0.464371D+01 -0.665534D+01  0.969245D+01 -0.870111D+01 -0.204254D+01
      2  -0.636194D+01  0.724043D+01 -0.136970D+02  0.962546D+01  0.854561D+01
      3   0.171823D+01 -0.585092D+00  0.400459D+01 -0.924350D+00 -0.650307D+01
      4   0.384914D+01 -0.870722D+01  0.610690D+01 -0.503397D+01  0.122884D+02
      5   0.415593D+00  0.180901D+01  0.523983D+00 -0.189572D+00  0.335473D+01
      6   0.828166D+01 -0.710538D+01  0.142563D+02 -0.155246D+02  0.572286D+01
               146           147           148           149           150 
      1  -0.256004D+01 -0.176642D+01 -0.409517D+01 -0.334280D+02 -0.115006D+02
      2   0.115173D+02  0.472375D+01  0.113377D+02  0.619510D+02  0.190550D+02
      3  -0.895722D+01 -0.295732D+01 -0.724256D+01 -0.285230D+02 -0.755439D+01
      4   0.195196D+02  0.668949D+01  0.134353D+02  0.267295D+02  0.966284D+01
      5   0.533201D+01  0.453644D+01  0.313258D+01  0.909398D+01  0.507878D+01
      6   0.806242D+01  0.457372D+01  0.729959D+01  0.270962D+02  0.169220D+02
               151           152           153           154           155 
      1  -0.322981D+01 -0.179220D+02 -0.126282D+02 -0.557539D+01 -0.864941D+01
      2   0.629080D+01  0.272871D+02  0.156669D+02  0.835279D+01  0.155059D+02
      3  -0.306099D+01 -0.936516D+01 -0.303866D+01 -0.277741D+01 -0.685647D+01
      4   0.705135D+01  0.159441D+02  0.915007D+01  0.146771D+02  0.839025D+01
      5   0.443189D+01  0.818569D+01  0.698387D+01 -0.147992D+01 -0.363306D+00
      6   0.606010D+01  0.263836D+02  0.200446D+02 -0.752453D+01 -0.683410D+01
               156           157           158           159           160 
      1   0.382122D+01 -0.510912D+01 -0.164271D+02  0.469294D+01  0.668328D+01
      2  -0.650848D+01  0.836575D+01  0.272457D+02 -0.644134D+01 -0.727127D+01
      3   0.268726D+01 -0.325663D+01 -0.108186D+02  0.174840D+01  0.587989D+00
      4  -0.606805D+01  0.642690D+01  0.475660D+01 -0.383089D+01 -0.861018D+01
      5   0.144218D+01 -0.386490D+00 -0.956273D+00 -0.450417D+00  0.177604D+01
      6   0.744339D+01 -0.455454D+01 -0.731409D+01  0.832837D+01  0.702744D+01
               161           162           163           164           165 
      1   0.978562D+01 -0.872982D+01 -0.196809D+01  0.253800D+01  0.176960D+01
      2  -0.138308D+02  0.969410D+01  0.852437D+01 -0.115689D+02 -0.476625D+01
      3   0.404517D+01 -0.964287D+00 -0.655629D+01  0.903091D+01  0.299665D+01
      4  -0.605455D+01  0.493830D+01 -0.124837D+02  0.196377D+02  0.679077D+01
      5  -0.579509D+00  0.251642D+00 -0.343736D+01  0.541510D+01  0.460429D+01
      6   0.142930D+02 -0.154724D+02  0.580576D+01 -0.817190D+01 -0.466851D+01
               166           167           168           169           170 
      1   0.410404D+01 -0.330742D+02 -0.114241D+02  0.325328D+01 -0.178020D+02
      2  -0.114077D+02  0.613874D+02  0.189508D+02 -0.635249D+01  0.271322D+02
      3   0.730369D+01 -0.283132D+02 -0.752668D+01  0.309921D+01 -0.933013D+01
      4   0.135378D+02 -0.269035D+02 -0.977778D+01  0.718585D+01 -0.161348D+02
      5   0.319858D+01 -0.918418D+01 -0.514504D+01  0.451389D+01 -0.830678D+01
      6  -0.739733D+01  0.270298D+02  0.169251D+02 -0.619099D+01  0.263935D+02
               171           172           173           174           175 
      1  -0.125887D+02  0.322382D+02  0.241475D+01 -0.105707D+02  0.843601D+01
      2   0.155992D+02 -0.183610D+02 -0.517860D+01  0.744683D+01 -0.748307D+01
      3  -0.301051D+01 -0.138771D+02  0.276385D+01  0.312384D+01 -0.952937D+00
      4  -0.930748D+01 -0.163662D+02  0.736187D+01  0.320445D+01  0.379370D+01
      5  -0.710909D+01 -0.107327D+02 -0.178716D+01  0.947333D+01 -0.337618D+01
      6   0.201264D+02  0.505427D+01  0.683793D+00 -0.531446D+01  0.168051D+01
               176           177           178           179           180 
      1   0.649032D+01 -0.428801D+01 -0.172910D+02 -0.312735D+01  0.943814D+01
      2  -0.594036D+01  0.275837D+01  0.128521D+02  0.469106D+01 -0.789012D+01
      3  -0.549964D+00  0.152964D+01  0.443885D+01 -0.156371D+01 -0.154802D+01
      4   0.464239D+00 -0.247228D+00  0.728321D+01 -0.219467D+01 -0.562871D+01
      5  -0.257601D+01  0.230354D+01  0.135697D+02 -0.103286D+00 -0.126269D+02
      6   0.627445D+00  0.309026D+00 -0.778739D+01  0.200155D+01  0.782251D+01
               181           182           183           184           185 
      1   0.147939D+02 -0.708546D+01  0.392006D+01 -0.240185D+01 -0.618008D+01
      2   0.836767D-01 -0.467386D+01  0.911272D+00 -0.110470D+02  0.239664D+02
      3  -0.148776D+02  0.117593D+02 -0.483133D+01  0.134489D+02 -0.177863D+02
      4  -0.297542D+02  0.240595D+02 -0.128627D+02  0.264469D+02 -0.333030D+02
      5   0.116152D+02 -0.958238D+01  0.101136D+02 -0.908170D+01  0.116193D+02
      6  -0.113291D+02  0.969729D+01 -0.843286D+01  0.121024D+02 -0.171781D+02
               186           187           188           189           190 
      1   0.132759D+01  0.251921D+01  0.144188D+01  0.974035D-01  0.205512D+02
      2  -0.749525D+01  0.345454D+01 -0.834500D+01  0.230853D+01 -0.167968D+02
      3   0.616766D+01 -0.597375D+01  0.690311D+01 -0.240593D+01 -0.375442D+01
      4   0.148163D+02 -0.202404D+02  0.206931D+02 -0.174571D+02  0.135752D+01
      5  -0.795617D+01  0.152850D+02 -0.125574D+02  0.150191D+02  0.158914D+02
      6   0.125742D+02 -0.148588D+02  0.170099D+02 -0.174846D+02  0.782312D+00
               191           192           193           194           195 
      1   0.513640D+01  0.794746D+01  0.802899D+01  0.558479D+01  0.389878D+01
      2  -0.678280D+01 -0.954989D+01 -0.892486D+01 -0.617707D+01 -0.627679D+01
      3   0.164639D+01  0.160243D+01  0.895870D+00  0.592283D+00  0.237801D+01
      4   0.640653D+01  0.156693D+01  0.126976D+01  0.752537D+01  0.547698D+00
      5   0.432710D+01  0.107325D+02  0.109775D+02  0.285666D+01  0.765010D+01
      6   0.133910D+01 -0.501141D+00  0.103926D+01  0.268796D+01  0.462787D+00
               196           197           198           199           200 
      1   0.339174D+01  0.128053D+01  0.210115D+01 -0.265813D+01 -0.236355D+01
      2  -0.693970D+01 -0.211003D+01 -0.809461D+01 -0.165517D+01  0.142097D+01
      3   0.354795D+01  0.829500D+00  0.599346D+01  0.431329D+01  0.942588D+00
      4   0.301852D+01  0.274169D+00  0.212627D+01  0.634536D+01 -0.291843D+01
      5   0.800498D+01  0.365236D+01  0.893990D+01 -0.239246D+01  0.211926D+01
      6   0.387563D+00  0.137701D+01 -0.677242D+00 -0.219393D-01 -0.327678D+01
               201           202           203           204           205 
      1   0.719188D+01 -0.393250D+00 -0.514107D+01  0.637296D+01  0.246301D+01
      2   0.104555D+01 -0.449896D+00  0.195473D+01 -0.101978D+01 -0.150041D+01
      3  -0.823743D+01  0.843146D+00  0.318635D+01 -0.535318D+01 -0.962602D+00
      4   0.354111D+00  0.134996D+01 -0.169626D+01  0.561943D+00 -0.314809D+01
      5  -0.189522D+00  0.326175D+00  0.106072D+01 -0.178735D+01  0.441932D+01
      6   0.584767D+01 -0.421098D+00 -0.609396D+01  0.876228D+01 -0.538861D+00
               206           207           208           209           210 
      1   0.558936D+01 -0.183195D+02 -0.172962D+00 -0.768454D+01 -0.448931D+01
      2  -0.231654D-01 -0.114058D+02 -0.181155D+00  0.970624D+01  0.205638D+01
      3  -0.556619D+01  0.297253D+02  0.354118D+00 -0.202171D+01  0.243292D+01
      4   0.303692D+01  0.498663D+00  0.174647D+02  0.773806D+01  0.825385D+01
      5  -0.235893D+01  0.113272D+02  0.911574D+01  0.571718D+01  0.568276D+01
      6   0.738492D+01 -0.175360D+02  0.941629D+01  0.112081D+02  0.101016D+02
               211           212           213           214           215 
      1  -0.216729D+01 -0.311645D+01 -0.181430D+01 -0.170873D+01 -0.141143D+01
      2   0.301807D+01  0.685961D+01  0.150522D+01 -0.700330D+00 -0.142593D+01
      3  -0.850776D+00 -0.374316D+01  0.309081D+00  0.240906D+01  0.283736D+01
      4   0.780204D+01  0.781400D+01  0.498344D+01  0.432228D+01  0.417992D+01
      5   0.296223D+01  0.324804D+01  0.233964D+01  0.460306D+01  0.224842D+01
      6   0.549667D+01  0.514471D+01  0.531462D+01  0.554316D+01  0.501009D+01
               216           217           218           219           220 
      1  -0.403346D+01 -0.560968D+00  0.328587D+01  0.237563D+01  0.290862D+00
      2  -0.190098D+01 -0.365997D+01 -0.411894D+01  0.620474D+01 -0.131938D+01
      3   0.593444D+01  0.422093D+01  0.833067D+00 -0.858037D+01  0.102852D+01
      4   0.553027D+01 -0.355523D+01  0.436030D+01  0.456834D+01  0.479159D+00
      5   0.369966D+01 -0.492738D+01  0.192587D+01  0.841990D+01  0.322784D+00
      6   0.849219D+01  0.444195D+01 -0.311853D+01 -0.694761D+01 -0.963770D-01
               221           222           223           224           225 
      1   0.295167D+01  0.158708D+01  0.177445D+01 -0.492633D+01 -0.119838D+02
      2  -0.624436D+01  0.236257D+01  0.363019D+01  0.285838D+01 -0.162945D+02
      3   0.329269D+01 -0.394964D+01 -0.540464D+01  0.206795D+01  0.282783D+02
      4   0.213712D+01  0.715591D+00  0.355872D+01 -0.196971D+01 -0.290236D+01
      5  -0.136147D+01  0.956521D+00  0.555976D+01 -0.124126D+01 -0.992082D+01
      6  -0.196748D+01  0.687451D+00 -0.326179D+01  0.652961D+01  0.188556D+02
               226           227           228           229           230 
      1  -0.107592D+01 -0.529181D+00 -0.137113D+01 -0.566549D+01 -0.115303D+02
      2   0.455158D+01 -0.231565D+01  0.178429D+01  0.135417D+01  0.210387D+02
      3  -0.347566D+01  0.284483D+01 -0.413166D+00  0.431132D+01 -0.950844D+01
      4  -0.331572D+01  0.531582D+01  0.191111D+00  0.863847D+01 -0.212707D+02
      5  -0.159163D+01 -0.313458D+00 -0.104315D+00 -0.493441D+01  0.281540D+01
      6   0.205365D+00  0.484363D+00 -0.198633D+00  0.389808D+01 -0.122384D+02
               231           232           233           234           235 
      1   0.154047D+01 -0.547090D+01  0.224046D+01 -0.428299D+01 -0.275244D+01
      2  -0.237974D+00  0.366835D+01  0.885155D+00  0.237977D+01 -0.158743D+00
      3  -0.130250D+01  0.180255D+01 -0.312561D+01  0.190322D+01  0.291118D+01
      4   0.442584D+01  0.175235D+01 -0.214443D+01 -0.208991D+01  0.965284D+00
      5  -0.461781D+01 -0.134542D+01 -0.192734D+01  0.747684D-01  0.232045D+00
      6   0.542892D+01 -0.438154D-01  0.277786D+01 -0.201365D+01  0.129237D+01
               236           237           238           239           240 
      1   0.983184D+00  0.358584D+01  0.375503D+01 -0.357584D+01  0.114305D+01
      2  -0.172405D+01  0.969758D+00 -0.381298D+01  0.678549D+00 -0.336090D+01
      3   0.740866D+00 -0.455559D+01  0.579491D-01  0.289729D+01  0.221785D+01
      4  -0.594675D+00  0.171511D+00  0.793878D+00 -0.948747D+00  0.241415D+01
      5   0.121933D+01  0.190121D+01  0.185413D+01  0.159940D+01  0.165508D+01
      6  -0.760022D+00  0.177873D+01  0.116320D+00 -0.204949D+01  0.469537D+01
               241           242           243           244           245 
      1   0.379960D+01  0.386254D+01 -0.206475D+02 -0.107681D+00  0.764564D+01
      2  -0.594177D+01  0.937978D+00 -0.162755D+02 -0.246692D+00 -0.968460D+01
      3   0.214216D+01 -0.480052D+01  0.369231D+02  0.354372D+00  0.203895D+01
      4  -0.155008D+01  0.342026D+01 -0.262290D+01 -0.175258D+02  0.777188D+01
      5   0.690474D+01 -0.396801D+01  0.216928D+02 -0.917517D+01  0.574124D+01
      6  -0.151424D+01  0.534177D+01 -0.101546D+02  0.946094D+01 -0.111833D+02
               246           247           248           249           250 
      1   0.444915D+01  0.212869D+01 -0.303131D+01 -0.176950D+01  0.169664D+01
      2  -0.201092D+01 -0.299429D+01  0.675783D+01  0.146300D+01  0.727017D+00
      3  -0.243823D+01  0.865603D+00 -0.372652D+01  0.306493D+00 -0.242366D+01
      4   0.831002D+01  0.778274D+01 -0.780191D+01 -0.497190D+01  0.435171D+01
      5   0.573615D+01  0.296062D+01 -0.323724D+01 -0.233647D+01  0.463485D+01
      6  -0.101154D+02 -0.547657D+01  0.507707D+01  0.528272D+01 -0.555387D+01
               251           252           253           254           255 
      1  -0.138670D+01 -0.400915D+01 -0.573329D+00 -0.333692D+01 -0.241767D+01
      2  -0.145159D+01 -0.193256D+01 -0.365796D+01  0.416112D+01 -0.618969D+01
      3   0.283829D+01  0.594171D+01  0.423129D+01 -0.824201D+00  0.860736D+01
      4  -0.416905D+01 -0.554287D+01  0.356656D+01  0.436674D+01  0.460289D+01
      5  -0.225198D+01 -0.373378D+01  0.492380D+01  0.193848D+01  0.842036D+01
      6   0.500252D+01  0.850434D+01  0.446607D+01  0.315895D+01  0.700906D+01
               256           257           258           259           260 
      1  -0.311570D+00  0.295293D+01  0.156877D+01 -0.178557D+01 -0.496018D+01
      2   0.133700D+01 -0.623168D+01  0.232321D+01 -0.362793D+01  0.285088D+01
      3  -0.102543D+01  0.327875D+01 -0.389198D+01  0.541350D+01  0.210931D+01
      4   0.502296D+00 -0.207354D+01 -0.696663D+00  0.357319D+01  0.196378D+01
      5   0.336077D+00  0.137929D+01 -0.924050D+00  0.555440D+01  0.125040D+01
      6   0.125793D+00 -0.192805D+01  0.726413D+00  0.327909D+01  0.657183D+01
               261           262           263           264           265 
      1  -0.120035D+02  0.206852D+02 -0.516197D+01 -0.796018D+01 -0.802959D+01
      2  -0.162413D+02 -0.168726D+02  0.679944D+01  0.954027D+01  0.889952D+01
      3   0.282448D+02 -0.381262D+01 -0.163747D+01 -0.158009D+01 -0.869938D+00
      4   0.294637D+01 -0.128656D+01  0.641160D+01  0.150941D+01  0.125330D+01
      5   0.987939D+01 -0.159082D+02  0.428285D+01  0.107019D+02  0.109207D+02
      6   0.189320D+02  0.749277D+00 -0.133646D+01  0.529263D+00 -0.101597D+01
               266           267           268           269           270 
      1   0.560822D+01  0.387495D+01 -0.339159D+01  0.126708D+01  0.211479D+01
      2  -0.615870D+01 -0.621684D+01  0.691567D+01 -0.206768D+01 -0.805032D+01
      3   0.550475D+00  0.234189D+01 -0.352408D+01  0.800605D+00  0.593553D+01
      4  -0.747889D+01 -0.497568D+00  0.299752D+01 -0.234653D+00 -0.209419D+01
      5  -0.279716D+01 -0.758016D+01  0.796494D+01 -0.362197D+01 -0.886249D+01
      6   0.266774D+01  0.429246D+00 -0.372691D+00  0.135375D+01 -0.691889D+00
               271           272           273           274           275 
      1  -0.260861D+01  0.235936D+01 -0.718668D+01  0.375600D+00 -0.510766D+01
      2  -0.170628D+01 -0.144657D+01 -0.104651D+01  0.446935D+00  0.193139D+01
      3   0.431489D+01 -0.912797D+00  0.823320D+01 -0.822534D+00  0.317627D+01
      4  -0.633128D+01 -0.293054D+01  0.340999D+00  0.131541D+01  0.166499D+01
      5   0.237037D+01  0.212385D+01 -0.174778D+00  0.342475D+00 -0.103768D+01
      6  -0.106629D-01  0.327421D+01 -0.583582D+01  0.427973D+00 -0.604355D+01
               276           277           278           279           280 
      1   0.631158D+01 -0.244454D+01  0.556321D+01 -0.183157D+02  0.650018D+01
      2  -0.102046D+01  0.149672D+01 -0.367581D-01 -0.114863D+02 -0.340076D+01
      3  -0.529112D+01  0.947816D+00 -0.552645D+01  0.298019D+02 -0.309942D+01
      4  -0.548256D+00 -0.316103D+01 -0.305257D+01 -0.513392D+00  0.470401D+01
      5   0.175594D+01  0.443269D+01  0.235698D+01 -0.113525D+02  0.814084D+01
      6   0.870634D+01  0.558408D+00  0.736268D+01 -0.175407D+02  0.223441D+01
               281           282           283           284           285 
      1   0.372047D+01  0.686338D+01  0.757432D+01 -0.584360D+00 -0.209266D+01
      2  -0.138212D+01 -0.376277D+01 -0.384996D+01  0.367899D+01 -0.204837D+00
      3  -0.233835D+01 -0.310061D+01 -0.372436D+01 -0.309464D+01  0.229750D+01
      4   0.521870D+01  0.191124D+01  0.117578D+02  0.245808D+02  0.125284D+02
      5   0.252753D+01  0.513467D+01  0.631068D+01  0.132613D+02  0.145066D+02
      6   0.783190D+00  0.728358D+00  0.436473D+01  0.120428D+02  0.825916D+01
               286           287           288           289           290 
      1   0.807154D+01 -0.192633D+01 -0.716798D+00  0.675938D+02 -0.170221D+02
      2  -0.606760D+01 -0.102573D+01 -0.376817D+01 -0.373246D+02  0.835479D+01
      3  -0.200394D+01  0.295207D+01  0.448496D+01 -0.302692D+02  0.866732D+01
      4   0.356224D+01  0.882675D+01  0.899642D+01 -0.218871D+02  0.131771D+02
      5   0.870071D+01  0.941953D+01  0.135858D+02  0.280853D+02 -0.745268D+01
      6   0.229609D+01  0.743976D+01  0.694518D+01 -0.483188D+01  0.297036D+01
               291           292           293           294           295 
      1   0.176991D+02 -0.271086D+02  0.133527D+02 -0.739591D+01  0.155469D+02
      2  -0.112656D+02  0.136700D+02 -0.570093D+01  0.489381D+01 -0.121250D+02
      3  -0.643358D+01  0.134386D+02 -0.765177D+01  0.250210D+01 -0.342189D+01
      4  -0.637532D+01  0.208661D+02 -0.137022D+02  0.907294D+01 -0.604517D+01
      5   0.170415D+02 -0.127881D+02  0.100647D+02 -0.767517D+01  0.216100D+02
      6  -0.191921D+01  0.573879D+01 -0.357223D+01  0.434745D+01 -0.323664D+01
               296           297           298           299           300 
      1  -0.387656D+01  0.121640D+02  0.673327D+02  0.171679D+02 -0.175726D+02
      2   0.348851D+01 -0.983002D+01 -0.370676D+02 -0.838272D+01  0.111485D+02
      3   0.388045D+00 -0.233398D+01 -0.302651D+02 -0.878515D+01  0.642411D+01
      4   0.588197D+01 -0.579487D+01  0.222067D+02  0.133389D+02 -0.643074D+01
      5  -0.621771D+01  0.133305D+02 -0.278835D+02 -0.748391D+01  0.169333D+02
      6   0.371705D+01 -0.283009D+01 -0.488644D+01 -0.299566D+01  0.195591D+01
               301           302           303           304           305 
      1   0.272451D+02  0.134639D+02 -0.738311D+01 -0.154251D+02 -0.387220D+01
      2  -0.136597D+02 -0.568613D+01  0.485516D+01  0.120030D+02  0.347363D+01
      3  -0.135855D+02 -0.777780D+01  0.252795D+01  0.342215D+01  0.398570D+00
      4   0.211063D+02  0.139424D+02 -0.912731D+01 -0.610457D+01 -0.591868D+01
      5  -0.128017D+02 -0.101064D+02  0.770346D+01  0.215012D+02  0.627039D+01
      6  -0.577902D+01 -0.363385D+01  0.436712D+01  0.329520D+01  0.374371D+01
               306           307           308           309           310 
      1   0.120925D+02  0.666505D+01 -0.375027D+01 -0.688015D+01 -0.767005D+01
      2  -0.973941D+01 -0.349596D+01  0.140439D+01  0.378524D+01  0.391867D+01
      3  -0.235308D+01 -0.316909D+01  0.234588D+01  0.309491D+01  0.375138D+01
      4   0.586932D+01 -0.476677D+01  0.531727D+01  0.194100D+01  0.118597D+02
      5  -0.132267D+02 -0.821015D+01  0.257198D+01  0.520760D+01  0.638392D+01
      6  -0.286799D+01  0.222828D+01 -0.824925D+00 -0.752635D+00 -0.439785D+01
               311           312           313           314           315 
      1  -0.363029D+00 -0.197067D+01 -0.810342D+01 -0.185252D+01 -0.618602D+00
      2   0.348882D+01 -0.298456D+00  0.610205D+01 -0.108132D+01 -0.383359D+01
      3  -0.312579D+01  0.226913D+01  0.200136D+01  0.293384D+01  0.445219D+01
      4  -0.245748D+02 -0.125359D+02  0.356779D+01 -0.882767D+01 -0.899648D+01
      5  -0.132850D+02 -0.145304D+02  0.876171D+01 -0.942678D+01 -0.136129D+02
      6   0.119518D+02  0.818488D+01 -0.230933D+01  0.738817D+01  0.688289D+01
               316           317           318           319           320 
      1  -0.270920D+01 -0.987394D+00 -0.357149D+01 -0.377181D+01 -0.358947D+01
      2  -0.194551D+00  0.171502D+01 -0.947323D+00  0.383370D+01  0.696294D+00
      3   0.290375D+01 -0.727626D+00  0.451881D+01 -0.618903D-01  0.289317D+01
      4  -0.975554D+00 -0.610940D+00  0.171595D+00  0.758391D+00  0.918482D+00
      5  -0.259773D+00  0.121983D+01  0.193111D+01  0.187570D+01 -0.158204D+01
      6   0.129927D+01  0.765253D+00 -0.177194D+01 -0.997711D-01 -0.202560D+01
               321           322           323           324           325 
      1   0.110897D+01 -0.378766D+01  0.382831D+01 -0.206360D+02 -0.114324D+01
      2  -0.340019D+01  0.594498D+01  0.923550D+00 -0.162998D+02  0.458173D+01
      3   0.229122D+01 -0.215732D+01 -0.475186D+01  0.369358D+02 -0.343849D+01
      4  -0.240060D+01 -0.156954D+01 -0.341590D+01  0.258719D+01  0.323203D+01
      5  -0.170930D+01  0.691314D+01  0.395097D+01 -0.217210D+02  0.160959D+01
      6   0.466902D+01  0.152261D+01  0.533620D+01 -0.101603D+02  0.224151D+00
               326           327           328           329           330 
      1   0.533748D+00  0.136301D+01  0.565490D+01 -0.116827D+02  0.159977D+01
      2   0.227823D+01 -0.178312D+01 -0.136579D+01  0.211764D+02 -0.304124D+00
      3  -0.281197D+01  0.420114D+00 -0.428910D+01 -0.949362D+01 -0.129565D+01
      4   0.522542D+01  0.215111D+00  0.859875D+01  0.212193D+02 -0.445398D+01
      5  -0.301074D+00 -0.116794D+00 -0.492123D+01 -0.283071D+01  0.461119D+01
      6  -0.437278D+00  0.176341D+00 -0.388333D+01 -0.123205D+02  0.547624D+01
               331           332           333 
      1   0.544723D+01  0.226298D+01 -0.430338D+01
      2  -0.365840D+01  0.859217D+00  0.238445D+01
      3  -0.178883D+01 -0.312219D+01  0.191894D+01
      4   0.176873D+01  0.211992D+01  0.207002D+01
      5  -0.133684D+01  0.191588D+01 -0.930085D-01
      6   0.308290D-01  0.280434D+01 -0.203276D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 15:20:01 2021, MaxMem=  5637144576 cpu:           57283.1 elap:            7223.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.80897 -14.80895 -14.80894 -14.80893 -14.80883
 Alpha  occ. eigenvalues --  -14.80879 -10.63394 -10.63392 -10.63373 -10.63371
 Alpha  occ. eigenvalues --  -10.63344 -10.63324  -3.71931  -2.46781  -2.46776
 Alpha  occ. eigenvalues --   -2.46340  -1.36406  -1.35283  -1.35259  -1.32744
 Alpha  occ. eigenvalues --   -1.32726  -1.32667  -1.15064  -1.14864  -1.14855
 Alpha  occ. eigenvalues --   -1.03607  -1.03105  -1.03037  -0.96902  -0.96784
 Alpha  occ. eigenvalues --   -0.96093  -0.94896  -0.94872  -0.94733  -0.93761
 Alpha  occ. eigenvalues --   -0.93586  -0.93046  -0.87412  -0.87384  -0.86734
 Alpha  occ. eigenvalues --   -0.86472  -0.86147  -0.85942  -0.84025  -0.83152
 Alpha  occ. eigenvalues --   -0.83087  -0.79426  -0.79294  -0.78206  -0.77968
 Alpha  occ. eigenvalues --   -0.77806  -0.76878  -0.75169  -0.74328  -0.74265
 Alpha  occ. eigenvalues --   -0.71437  -0.71433  -0.71181
 Alpha virt. eigenvalues --   -0.48015  -0.47974  -0.40642  -0.38763  -0.37802
 Alpha virt. eigenvalues --   -0.37692  -0.34723  -0.34499  -0.34043  -0.32585
 Alpha virt. eigenvalues --   -0.31894  -0.31423  -0.31259  -0.30424  -0.28727
 Alpha virt. eigenvalues --   -0.28386  -0.28061  -0.27902  -0.27017  -0.26831
 Alpha virt. eigenvalues --   -0.26394  -0.25487  -0.25309  -0.24801  -0.24744
 Alpha virt. eigenvalues --   -0.24332  -0.23689  -0.22884  -0.22815  -0.22452
 Alpha virt. eigenvalues --   -0.21281  -0.21272  -0.20614  -0.20450  -0.20348
 Alpha virt. eigenvalues --   -0.20212  -0.19572  -0.19431  -0.18977  -0.18278
 Alpha virt. eigenvalues --   -0.18045  -0.17772  -0.17345  -0.17124  -0.16339
 Alpha virt. eigenvalues --   -0.15690  -0.15587  -0.14980  -0.14711  -0.13572
 Alpha virt. eigenvalues --   -0.13231  -0.12868  -0.11739  -0.11668  -0.10664
 Alpha virt. eigenvalues --   -0.09932  -0.09919  -0.09240  -0.08983  -0.08716
 Alpha virt. eigenvalues --   -0.08345  -0.07874  -0.06257  -0.05982  -0.05808
 Alpha virt. eigenvalues --   -0.05230  -0.05093  -0.04603  -0.03755  -0.03697
 Alpha virt. eigenvalues --   -0.02946  -0.02905  -0.02366  -0.02019  -0.01895
 Alpha virt. eigenvalues --   -0.01215  -0.00933  -0.00898   0.00102   0.00133
 Alpha virt. eigenvalues --    0.01046   0.01208   0.01516   0.01661   0.01993
 Alpha virt. eigenvalues --    0.02035   0.02225   0.02719   0.03294   0.03558
 Alpha virt. eigenvalues --    0.04111   0.04867   0.04919   0.05532   0.05644
 Alpha virt. eigenvalues --    0.05813   0.06457   0.06578   0.06751   0.06939
 Alpha virt. eigenvalues --    0.08260   0.08852   0.09004   0.09745   0.10168
 Alpha virt. eigenvalues --    0.10186   0.10440   0.10829   0.11599   0.11620
 Alpha virt. eigenvalues --    0.12122   0.12312   0.13167   0.13418   0.13605
 Alpha virt. eigenvalues --    0.13879   0.14233   0.14290   0.14871   0.15285
 Alpha virt. eigenvalues --    0.15446   0.15657   0.15843   0.16292   0.16666
 Alpha virt. eigenvalues --    0.17511   0.17668   0.18129   0.18211   0.18533
 Alpha virt. eigenvalues --    0.19000   0.19058   0.19789   0.19814   0.20317
 Alpha virt. eigenvalues --    0.20748   0.21042   0.22105   0.22830   0.22948
 Alpha virt. eigenvalues --    0.23642   0.23913   0.24354   0.24975   0.25126
 Alpha virt. eigenvalues --    0.25775   0.26492   0.26816   0.26834   0.27903
 Alpha virt. eigenvalues --    0.28274   0.28819   0.29098   0.30059   0.30653
 Alpha virt. eigenvalues --    0.31021   0.33192   0.33389   0.33472   0.33830
 Alpha virt. eigenvalues --    0.34358   0.35072   0.35285   0.35625   0.35701
 Alpha virt. eigenvalues --    0.36337   0.37636   0.38687   0.39061   0.39908
 Alpha virt. eigenvalues --    0.40035   0.41355   0.41378   0.42624   0.42765
 Alpha virt. eigenvalues --    0.43673   0.45065   0.45579   0.46322   0.47122
 Alpha virt. eigenvalues --    0.47535   0.47957   0.49419   0.50529   0.51764
 Alpha virt. eigenvalues --    0.52284   0.53705   0.53798   0.54109   0.55497
 Alpha virt. eigenvalues --    0.56107   0.56829   0.58955   0.59105   0.60019
 Alpha virt. eigenvalues --    0.60213   0.61241   0.61549   0.62073   0.62300
 Alpha virt. eigenvalues --    0.62560   0.63791   0.63977   0.64953   0.65458
 Alpha virt. eigenvalues --    0.65531   0.65746   0.67365   0.68033   0.68708
 Alpha virt. eigenvalues --    0.69065   0.69944   0.70137   0.72402   0.73482
 Alpha virt. eigenvalues --    0.75278   0.75923   0.76839   0.77384   0.77921
 Alpha virt. eigenvalues --    0.78322   0.78708   0.79880   0.81232   0.82071
 Alpha virt. eigenvalues --    0.83104   0.84473   0.85172   0.88356   0.90705
 Alpha virt. eigenvalues --    0.91165   0.93618   0.93885   0.94719   0.97191
 Alpha virt. eigenvalues --    0.97995   0.99665   1.01654   1.02732   1.04567
 Alpha virt. eigenvalues --    1.04877   1.05474   1.06279   1.10881   1.12792
 Alpha virt. eigenvalues --    1.12811   1.16646   1.16675   1.17635   1.18332
 Alpha virt. eigenvalues --    1.18374   1.20126   1.20139   1.22397   1.25012
 Alpha virt. eigenvalues --    1.25289   1.26199   1.26609   1.27797   1.31115
 Alpha virt. eigenvalues --    1.31397   1.32872   1.33708   1.34571   1.34749
 Alpha virt. eigenvalues --    1.35392   1.37622   1.37643   1.39302   1.41588
 Alpha virt. eigenvalues --    1.41641   1.41700   1.42362   1.44108   1.44211
 Alpha virt. eigenvalues --    1.45429   1.47529   1.49241   1.50102   1.51547
 Alpha virt. eigenvalues --    1.51612   1.51743   1.53271   1.53719   1.53916
 Alpha virt. eigenvalues --    1.54998   1.55745   1.56885   1.57239   1.57891
 Alpha virt. eigenvalues --    1.59344   1.60254   1.61927   1.62355   1.62782
 Alpha virt. eigenvalues --    1.64725   1.66384   1.66900   1.67541   1.67954
 Alpha virt. eigenvalues --    1.68740   1.68920   1.69547   1.69754   1.70344
 Alpha virt. eigenvalues --    1.70435   1.72192   1.74303   1.74708   1.75581
 Alpha virt. eigenvalues --    1.76329   1.77031   1.78663   1.79430   1.79899
 Alpha virt. eigenvalues --    1.79971   1.80992   1.82174   1.82563   1.83044
 Alpha virt. eigenvalues --    1.83492   1.83515   1.84100   1.87545   1.88102
 Alpha virt. eigenvalues --    1.88520   1.90094   1.91129   1.92420   1.94171
 Alpha virt. eigenvalues --    1.94584   1.95828   1.97044   1.98230   2.00019
 Alpha virt. eigenvalues --    2.00138   2.01238   2.01665   2.03706   2.03892
 Alpha virt. eigenvalues --    2.05010   2.05622   2.08619   2.09711   2.10574
 Alpha virt. eigenvalues --    2.11581   2.12200   2.13765   2.14451   2.14661
 Alpha virt. eigenvalues --    2.14874   2.15311   2.16106   2.16501   2.17561
 Alpha virt. eigenvalues --    2.22346   2.23133   2.23740   2.25179   2.25777
 Alpha virt. eigenvalues --    2.25862   2.28569   2.32406   2.33129   2.37336
 Alpha virt. eigenvalues --    2.38208   2.38504   2.40349   2.40617   2.41748
 Alpha virt. eigenvalues --    2.42322   2.43699   2.44290   2.45259   2.45411
 Alpha virt. eigenvalues --    2.46715   2.48074   2.50921   2.50969   2.56014
 Alpha virt. eigenvalues --    2.56581   2.59127   2.59490   2.63372   2.63377
 Alpha virt. eigenvalues --    2.68843   2.69494   2.70261   2.77575   2.79218
 Alpha virt. eigenvalues --    2.79420   2.79446   2.79908   2.80631   2.92393
 Alpha virt. eigenvalues --    2.97500   2.97890   2.99428   3.00564   3.01154
 Alpha virt. eigenvalues --    3.01786   3.19997   3.22071   3.22285   3.23124
 Alpha virt. eigenvalues --    3.26414   3.27136  48.43430
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.397418   0.209162   0.162000   0.059793  -0.007746   0.000065
     2  C    0.209162   4.396676  -0.450110   0.059243  -0.009059   0.000351
     3  N    0.162000  -0.450110  11.968150  -1.570619  -0.075082   0.000165
     4  Rh   0.059793   0.059243  -1.570619  20.170663  -1.393425   0.080993
     5  N   -0.007746  -0.009059  -0.075082  -1.393425  11.239011  -0.380712
     6  C    0.000065   0.000351   0.000165   0.080993  -0.380712   4.390985
     7  C   -0.000674  -0.001788  -0.010137   0.038435   0.128721   0.196211
     8  N    0.015423   0.046031  -0.145458  -1.486228  -0.034861   0.090984
     9  N   -0.450593   0.162523  -0.208812  -1.573094  -0.023849   0.007704
    10  N   -0.009084  -0.007775  -0.021174  -1.391489   0.125708   0.031998
    11  C    0.000359   0.000075   0.007277   0.081033   0.032104  -0.005577
    12  C   -0.001819  -0.000689   0.007853   0.038385  -0.006799   0.000262
    13  N    0.046411   0.015376   0.271560  -1.485359  -0.121877  -0.001357
    14  H    0.000218   0.000116   0.001235   0.072879  -0.130106   0.195470
    15  H   -0.000045   0.000011   0.000649   0.051564  -0.212414   0.326490
    16  H    0.002596   0.000359   0.002841   0.063077  -0.064328   0.015650
    17  H   -0.000465  -0.000603   0.000996   0.057020   0.037629  -0.022157
    18  H    0.000377   0.002551  -0.045468   0.063326  -0.005072   0.000092
    19  H   -0.000607  -0.000461  -0.000711   0.056854   0.007642  -0.000021
    20  H    0.000118   0.000217  -0.005765   0.073183  -0.031917   0.002018
    21  H    0.000011  -0.000043   0.010532   0.051348  -0.006740  -0.000187
    22  H    0.000161   0.000526   0.018616   0.246839  -0.080080   0.009293
    23  H    0.000463   0.002350  -0.054511   0.165076   0.004706  -0.004772
    24  H   -0.004512  -0.006809  -0.097312   0.271702   0.012802  -0.000165
    25  H   -0.004763  -0.004183  -0.025435   0.181957   0.016644   0.000554
    26  H    0.054200  -0.049308   0.010256   0.132618  -0.024380   0.003283
    27  H    0.138781  -0.020671   0.038264   0.253222  -0.005781  -0.004453
    28  H   -0.006828  -0.004425   0.014184   0.272626   0.021743  -0.007241
    29  H   -0.004161  -0.004693  -0.013752   0.181212  -0.027993  -0.026067
    30  H    0.000517   0.000165   0.001727   0.246981  -0.722560   0.112539
    31  H    0.002354   0.000463  -0.001194   0.165522  -0.195472   0.058742
    32  H    0.136129   0.006575  -0.077759   0.092267   0.003291  -0.000091
    33  H    0.362082  -0.023800   0.038613   0.051019   0.001011  -0.000083
    34  H   -0.022998   0.360696  -0.251188   0.051171   0.000593  -0.000060
    35  H    0.005894   0.137881  -0.137248   0.091602   0.000140   0.000320
    36  H   -0.020685   0.138847  -0.772816   0.252460   0.001320  -0.000191
    37  H   -0.049054   0.054525  -0.343739   0.132168  -0.002379  -0.000240
               7          8          9         10         11         12
     1  C   -0.000674   0.015423  -0.450593  -0.009084   0.000359  -0.001819
     2  C   -0.001788   0.046031   0.162523  -0.007775   0.000075  -0.000689
     3  N   -0.010137  -0.145458  -0.208812  -0.021174   0.007277   0.007853
     4  Rh   0.038435  -1.486228  -1.573094  -1.391489   0.081033   0.038385
     5  N    0.128721  -0.034861  -0.023849   0.125708   0.032104  -0.006799
     6  C    0.196211   0.090984   0.007704   0.031998  -0.005577   0.000262
     7  C    4.410339  -0.282577   0.007489  -0.006941   0.000282  -0.000083
     8  N   -0.282577  11.449487   0.272717  -0.121142  -0.001396  -0.004451
     9  N    0.007489   0.272717  11.978444  -0.075447   0.000191  -0.009923
    10  N   -0.006941  -0.121142  -0.075447  11.223787  -0.379173   0.128930
    11  C    0.000282  -0.001396   0.000191  -0.379173   4.391086   0.196311
    12  C   -0.000083  -0.004451  -0.009923   0.128930   0.196311   4.409578
    13  N   -0.004469  -0.084968  -0.147502  -0.035660   0.090809  -0.283888
    14  H   -0.017749  -0.047109  -0.005778  -0.031591   0.001988   0.000169
    15  H    0.005295   0.033971   0.010638  -0.006806  -0.000193   0.000025
    16  H    0.152340  -0.106139  -0.046096  -0.005021   0.000091   0.000075
    17  H    0.354964  -0.252443  -0.000638   0.007558  -0.000022   0.000006
    18  H    0.000075   0.000161   0.002871  -0.064432   0.015295   0.153338
    19  H    0.000006   0.000637   0.001008   0.037607  -0.021845   0.354140
    20  H    0.000181   0.003442   0.001250  -0.129661   0.194234  -0.017330
    21  H    0.000023   0.000822   0.000652  -0.211300   0.327333   0.004684
    22  H   -0.000803  -0.016509   0.001767  -0.719899   0.112301  -0.014775
    23  H    0.000826  -0.003369  -0.001180  -0.192991   0.058324  -0.032688
    24  H    0.000138   0.002753   0.014280   0.021718  -0.007291   0.080881
    25  H    0.000346   0.002147  -0.013481  -0.027971  -0.025939   0.037314
    26  H    0.003460  -0.022689  -0.346083  -0.002355  -0.000245   0.000023
    27  H   -0.002391  -0.014656  -0.775733   0.001360  -0.000190   0.002439
    28  H    0.080532  -0.750647  -0.097675   0.012721  -0.000163   0.000141
    29  H    0.037086  -0.279197  -0.025445   0.017054   0.000533   0.000332
    30  H   -0.014706   0.024097   0.019058  -0.080299   0.009351  -0.000824
    31  H   -0.032660  -0.017264  -0.054100   0.004744  -0.004802   0.000790
    32  H    0.000552  -0.001496  -0.138259   0.000151   0.000324   0.002360
    33  H   -0.000257   0.004584  -0.250687   0.000598  -0.000061   0.000048
    34  H    0.000052   0.002218   0.038035   0.001014  -0.000082  -0.000251
    35  H    0.002329  -0.056932  -0.077065   0.003255  -0.000091   0.000552
    36  H    0.002463  -0.012592   0.038034  -0.006182  -0.004358  -0.002400
    37  H    0.000031   0.013889   0.010510  -0.024537   0.003314   0.003448
              13         14         15         16         17         18
     1  C    0.046411   0.000218  -0.000045   0.002596  -0.000465   0.000377
     2  C    0.015376   0.000116   0.000011   0.000359  -0.000603   0.002551
     3  N    0.271560   0.001235   0.000649   0.002841   0.000996  -0.045468
     4  Rh  -1.485359   0.072879   0.051564   0.063077   0.057020   0.063326
     5  N   -0.121877  -0.130106  -0.212414  -0.064328   0.037629  -0.005072
     6  C   -0.001357   0.195470   0.326490   0.015650  -0.022157   0.000092
     7  C   -0.004469  -0.017749   0.005295   0.152340   0.354964   0.000075
     8  N   -0.084968  -0.047109   0.033971  -0.106139  -0.252443   0.000161
     9  N   -0.147502  -0.005778   0.010638  -0.046096  -0.000638   0.002871
    10  N   -0.035660  -0.031591  -0.006806  -0.005021   0.007558  -0.064432
    11  C    0.090809   0.001988  -0.000193   0.000091  -0.000022   0.015295
    12  C   -0.283888   0.000169   0.000025   0.000075   0.000006   0.153338
    13  N   11.460979   0.003425   0.000820   0.000168   0.000640  -0.107700
    14  H    0.003425   1.231977  -0.270294   0.075670  -0.075379   0.000051
    15  H    0.000820  -0.270294   1.366404  -0.066578   0.007081   0.000001
    16  H    0.000168   0.075670  -0.066578   1.269990  -0.292217   0.000005
    17  H    0.000640  -0.075379   0.007081  -0.292217   1.423650  -0.000002
    18  H   -0.107700   0.000051   0.000001   0.000005  -0.000002   1.270330
    19  H   -0.252096  -0.000101   0.000000  -0.000002  -0.000001  -0.291704
    20  H   -0.047715  -0.002714   0.000714   0.000052  -0.000102   0.075847
    21  H    0.034260   0.000699   0.000060   0.000001   0.000000  -0.066765
    22  H    0.024424   0.028293   0.000114   0.000711   0.000069  -0.003916
    23  H   -0.017172   0.003205  -0.000114   0.000483  -0.000068   0.008287
    24  H   -0.750728  -0.000183   0.000012  -0.000049  -0.000005  -0.008660
    25  H   -0.282177   0.000635  -0.000363   0.000085  -0.000054   0.024776
    26  H    0.014149   0.000353   0.000243   0.027682  -0.004125  -0.000151
    27  H   -0.012321   0.000945  -0.001491   0.006278  -0.000015   0.000115
    28  H    0.002782  -0.005960  -0.008434  -0.008516   0.087076  -0.000048
    29  H    0.002131   0.001331   0.001974   0.024356  -0.012808   0.000082
    30  H   -0.016506  -0.012214   0.103332  -0.003892  -0.009299   0.000715
    31  H   -0.003324   0.035420  -0.043734   0.008239   0.000325   0.000489
    32  H   -0.057146   0.000003  -0.000016   0.000503   0.000018   0.001653
    33  H    0.002290   0.000007  -0.000008  -0.000114  -0.000037  -0.000053
    34  H    0.004626  -0.000005  -0.000000  -0.000051   0.000001  -0.000113
    35  H   -0.001495   0.000065  -0.000040   0.001647   0.000420   0.000494
    36  H   -0.014438  -0.000212  -0.000036   0.000118   0.000081   0.006210
    37  H   -0.022653  -0.000080   0.000008  -0.000151   0.000030   0.027321
              19         20         21         22         23         24
     1  C   -0.000607   0.000118   0.000011   0.000161   0.000463  -0.004512
     2  C   -0.000461   0.000217  -0.000043   0.000526   0.002350  -0.006809
     3  N   -0.000711  -0.005765   0.010532   0.018616  -0.054511  -0.097312
     4  Rh   0.056854   0.073183   0.051348   0.246839   0.165076   0.271702
     5  N    0.007642  -0.031917  -0.006740  -0.080080   0.004706   0.012802
     6  C   -0.000021   0.002018  -0.000187   0.009293  -0.004772  -0.000165
     7  C    0.000006   0.000181   0.000023  -0.000803   0.000826   0.000138
     8  N    0.000637   0.003442   0.000822  -0.016509  -0.003369   0.002753
     9  N    0.001008   0.001250   0.000652   0.001767  -0.001180   0.014280
    10  N    0.037607  -0.129661  -0.211300  -0.719899  -0.192991   0.021718
    11  C   -0.021845   0.194234   0.327333   0.112301   0.058324  -0.007291
    12  C    0.354140  -0.017330   0.004684  -0.014775  -0.032688   0.080881
    13  N   -0.252096  -0.047715   0.034260   0.024424  -0.017172  -0.750728
    14  H   -0.000101  -0.002714   0.000699   0.028293   0.003205  -0.000183
    15  H    0.000000   0.000714   0.000060   0.000114  -0.000114   0.000012
    16  H   -0.000002   0.000052   0.000001   0.000711   0.000483  -0.000049
    17  H   -0.000001  -0.000102   0.000000   0.000069  -0.000068  -0.000005
    18  H   -0.291704   0.075847  -0.066765  -0.003916   0.008287  -0.008660
    19  H    1.422570  -0.075604   0.007251  -0.009301   0.000343   0.087255
    20  H   -0.075604   1.233747  -0.271102  -0.012070   0.035378  -0.005934
    21  H    0.007251  -0.271102   1.367062   0.102782  -0.043517  -0.008439
    22  H   -0.009301  -0.012070   0.102782   1.037205  -0.065690  -0.004311
    23  H    0.000343   0.035378  -0.043517  -0.065690   0.727708   0.001803
    24  H    0.087255  -0.005934  -0.008439  -0.004311   0.001803   0.999507
    25  H   -0.013216   0.001624   0.001883   0.003318   0.003828  -0.014134
    26  H    0.000030  -0.000080   0.000008   0.000267   0.000053   0.000608
    27  H    0.000080  -0.000213  -0.000037  -0.000158   0.000078   0.012136
    28  H   -0.000005  -0.000184   0.000013   0.000852   0.001588   0.000119
    29  H   -0.000054   0.000632  -0.000365   0.012477  -0.007072  -0.000289
    30  H    0.000070   0.028672   0.000081   0.038189   0.002351   0.000850
    31  H   -0.000073   0.003245  -0.000118   0.002340  -0.000998   0.001568
    32  H    0.000416   0.000066  -0.000041  -0.000051   0.000064   0.032155
    33  H    0.000001  -0.000005  -0.000000  -0.000003  -0.000040  -0.002688
    34  H   -0.000036   0.000007  -0.000008  -0.000022  -0.000221   0.000316
    35  H    0.000018   0.000003  -0.000016  -0.000317   0.000446   0.000660
    36  H   -0.000010   0.000940  -0.001471  -0.004184   0.014730   0.006172
    37  H   -0.004053   0.000355   0.000248   0.002087   0.009311   0.026772
              25         26         27         28         29         30
     1  C   -0.004763   0.054200   0.138781  -0.006828  -0.004161   0.000517
     2  C   -0.004183  -0.049308  -0.020671  -0.004425  -0.004693   0.000165
     3  N   -0.025435   0.010256   0.038264   0.014184  -0.013752   0.001727
     4  Rh   0.181957   0.132618   0.253222   0.272626   0.181212   0.246981
     5  N    0.016644  -0.024380  -0.005781   0.021743  -0.027993  -0.722560
     6  C    0.000554   0.003283  -0.004453  -0.007241  -0.026067   0.112539
     7  C    0.000346   0.003460  -0.002391   0.080532   0.037086  -0.014706
     8  N    0.002147  -0.022689  -0.014656  -0.750647  -0.279197   0.024097
     9  N   -0.013481  -0.346083  -0.775733  -0.097675  -0.025445   0.019058
    10  N   -0.027971  -0.002355   0.001360   0.012721   0.017054  -0.080299
    11  C   -0.025939  -0.000245  -0.000190  -0.000163   0.000533   0.009351
    12  C    0.037314   0.000023   0.002439   0.000141   0.000332  -0.000824
    13  N   -0.282177   0.014149  -0.012321   0.002782   0.002131  -0.016506
    14  H    0.000635   0.000353   0.000945  -0.005960   0.001331  -0.012214
    15  H   -0.000363   0.000243  -0.001491  -0.008434   0.001974   0.103332
    16  H    0.000085   0.027682   0.006278  -0.008516   0.024356  -0.003892
    17  H   -0.000054  -0.004125  -0.000015   0.087076  -0.012808  -0.009299
    18  H    0.024776  -0.000151   0.000115  -0.000048   0.000082   0.000715
    19  H   -0.013216   0.000030   0.000080  -0.000005  -0.000054   0.000070
    20  H    0.001624  -0.000080  -0.000213  -0.000184   0.000632   0.028672
    21  H    0.001883   0.000008  -0.000037   0.000013  -0.000365   0.000081
    22  H    0.003318   0.000267  -0.000158   0.000852   0.012477   0.038189
    23  H    0.003828   0.000053   0.000078   0.001588  -0.007072   0.002351
    24  H   -0.014134   0.000608   0.012136   0.000119  -0.000289   0.000850
    25  H    0.693282  -0.000517   0.009964  -0.000290  -0.000187   0.012536
    26  H   -0.000517   0.707596  -0.032386   0.026834   0.002308   0.002061
    27  H    0.009964  -0.032386   0.972661   0.006216   0.000115  -0.004304
    28  H   -0.000290   0.026834   0.006216   1.001421  -0.014934  -0.004298
    29  H   -0.000187   0.002308   0.000115  -0.014934   0.693293   0.003371
    30  H    0.012536   0.002061  -0.004304  -0.004298   0.003371   1.037499
    31  H   -0.007004   0.009220   0.014756   0.001771   0.003834  -0.065411
    32  H    0.008362   0.053083  -0.021870   0.000654   0.000032  -0.000321
    33  H    0.000166  -0.030081   0.102175   0.000313  -0.000239  -0.000022
    34  H   -0.000243   0.004531  -0.009109  -0.002632   0.000166  -0.000003
    35  H    0.000032   0.009766  -0.003986   0.031857   0.008298  -0.000050
    36  H    0.000111  -0.000731  -0.004365   0.012176   0.009964  -0.000154
    37  H    0.002326  -0.002287  -0.000809   0.000609  -0.000472   0.000271
              31         32         33         34         35         36
     1  C    0.002354   0.136129   0.362082  -0.022998   0.005894  -0.020685
     2  C    0.000463   0.006575  -0.023800   0.360696   0.137881   0.138847
     3  N   -0.001194  -0.077759   0.038613  -0.251188  -0.137248  -0.772816
     4  Rh   0.165522   0.092267   0.051019   0.051171   0.091602   0.252460
     5  N   -0.195472   0.003291   0.001011   0.000593   0.000140   0.001320
     6  C    0.058742  -0.000091  -0.000083  -0.000060   0.000320  -0.000191
     7  C   -0.032660   0.000552  -0.000257   0.000052   0.002329   0.002463
     8  N   -0.017264  -0.001496   0.004584   0.002218  -0.056932  -0.012592
     9  N   -0.054100  -0.138259  -0.250687   0.038035  -0.077065   0.038034
    10  N    0.004744   0.000151   0.000598   0.001014   0.003255  -0.006182
    11  C   -0.004802   0.000324  -0.000061  -0.000082  -0.000091  -0.004358
    12  C    0.000790   0.002360   0.000048  -0.000251   0.000552  -0.002400
    13  N   -0.003324  -0.057146   0.002290   0.004626  -0.001495  -0.014438
    14  H    0.035420   0.000003   0.000007  -0.000005   0.000065  -0.000212
    15  H   -0.043734  -0.000016  -0.000008  -0.000000  -0.000040  -0.000036
    16  H    0.008239   0.000503  -0.000114  -0.000051   0.001647   0.000118
    17  H    0.000325   0.000018  -0.000037   0.000001   0.000420   0.000081
    18  H    0.000489   0.001653  -0.000053  -0.000113   0.000494   0.006210
    19  H   -0.000073   0.000416   0.000001  -0.000036   0.000018  -0.000010
    20  H    0.003245   0.000066  -0.000005   0.000007   0.000003   0.000940
    21  H   -0.000118  -0.000041  -0.000000  -0.000008  -0.000016  -0.001471
    22  H    0.002340  -0.000051  -0.000003  -0.000022  -0.000317  -0.004184
    23  H   -0.000998   0.000064  -0.000040  -0.000221   0.000446   0.014730
    24  H    0.001568   0.032155  -0.002688   0.000316   0.000660   0.006172
    25  H   -0.007004   0.008362   0.000166  -0.000243   0.000032   0.000111
    26  H    0.009220   0.053083  -0.030081   0.004531   0.009766  -0.000731
    27  H    0.014756  -0.021870   0.102175  -0.009109  -0.003986  -0.004365
    28  H    0.001771   0.000654   0.000313  -0.002632   0.031857   0.012176
    29  H    0.003834   0.000032  -0.000239   0.000166   0.008298   0.009964
    30  H   -0.065411  -0.000321  -0.000022  -0.000003  -0.000050  -0.000154
    31  H    0.727646   0.000449  -0.000224  -0.000040   0.000064   0.000079
    32  H    0.000449   1.335527  -0.301658  -0.054974   0.075664  -0.003924
    33  H   -0.000224  -0.301658   1.414914  -0.012674  -0.055365  -0.009135
    34  H   -0.000040  -0.054974  -0.012674   1.413127  -0.300141   0.102529
    35  H    0.000064   0.075664  -0.055365  -0.300141   1.332104  -0.022461
    36  H    0.000079  -0.003924  -0.009135   0.102529  -0.022461   0.970842
    37  H    0.000056   0.009899   0.004360  -0.030096   0.052776  -0.032658
              37
     1  C   -0.049054
     2  C    0.054525
     3  N   -0.343739
     4  Rh   0.132168
     5  N   -0.002379
     6  C   -0.000240
     7  C    0.000031
     8  N    0.013889
     9  N    0.010510
    10  N   -0.024537
    11  C    0.003314
    12  C    0.003448
    13  N   -0.022653
    14  H   -0.000080
    15  H    0.000008
    16  H   -0.000151
    17  H    0.000030
    18  H    0.027321
    19  H   -0.004053
    20  H    0.000355
    21  H    0.000248
    22  H    0.002087
    23  H    0.009311
    24  H    0.026772
    25  H    0.002326
    26  H   -0.002287
    27  H   -0.000809
    28  H    0.000609
    29  H   -0.000472
    30  H    0.000271
    31  H    0.000056
    32  H    0.009899
    33  H    0.004360
    34  H   -0.030096
    35  H    0.052776
    36  H   -0.032658
    37  H    0.706399
 Mulliken charges:
               1
     1  C    0.989504
     2  C    0.989697
     3  N   -1.246632
     4  Rh   2.093976
     5  N   -1.070434
     6  C    0.929204
     7  C    0.953060
     8  N   -1.221238
     9  N   -1.245733
    10  N   -1.067271
    11  C    0.928812
    12  C    0.953835
    13  N   -1.224302
    14  H   -0.054681
    15  H   -0.298839
    16  H   -0.059862
    17  H   -0.307126
    18  H   -0.060377
    19  H   -0.306029
    20  H   -0.055528
    21  H   -0.299607
    22  H    0.289457
    23  H    0.383003
    24  H    0.337303
    25  H    0.418071
    26  H    0.452782
    27  H    0.355354
    28  H    0.336051
    29  H    0.417147
    30  H    0.290431
    31  H    0.384303
    32  H   -0.102590
    33  H   -0.294946
    34  H   -0.294134
    35  H   -0.101082
    36  H    0.355926
    37  H    0.452495
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.591968
     2  C    0.594481
     3  N   -0.438210
     4  Rh   2.093976
     5  N   -0.395700
     6  C    0.575685
     7  C    0.586072
     8  N   -0.468040
     9  N   -0.437597
    10  N   -0.394811
    11  C    0.573677
    12  C    0.587429
    13  N   -0.468928
 Electronic spatial extent (au):  <R**2>=           2782.1138
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0219    Y=             -0.0002    Z=              0.0002  Tot=              0.0219
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -31.2865   YY=            -31.7287   ZZ=            -53.9705
   XY=             -0.0011   XZ=             -0.0049   YZ=             -0.1483
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.7088   YY=              7.2665   ZZ=            -14.9753
   XY=             -0.0011   XZ=             -0.0049   YZ=             -0.1483
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -35.9411  YYY=              0.2058  ZZZ=              0.0448  XYY=             36.6025
  XXY=             -0.2042  XXZ=              0.0094  XZZ=             -0.4345  YZZ=             -0.0080
  YYZ=              0.0211  XYZ=             -0.7490
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1025.8299 YYYY=           -991.6577 ZZZZ=           -359.1891 XXXY=              0.0512
 XXXZ=              0.1736 YYYX=             -0.0410 YYYZ=             37.3372 ZZZX=             -0.0116
 ZZZY=             -4.5765 XXYY=           -338.3637 XXZZ=           -233.8732 YYZZ=           -235.0049
 XXYZ=            -35.6332 YYXZ=             -0.2294 ZZXY=             -0.0066
 N-N= 1.198241205491D+03 E-N=-3.901270927381D+03  KE= 6.045260676700D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 15:20:03 2021, MaxMem=  5637144576 cpu:              10.2 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 8.90860634D-03-8.00422508D-05 1.00325385D-04
 Polarizability= 1.50517013D+02-7.52488376D-04 1.49049515D+02
                -1.56818627D-03 5.98748852D-02 1.18804058D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0009    0.0009       -0.0006   -0.0005
 2     -0.0009   -0.0009       -0.0144   -0.0174       -0.7336   -0.7314
 3      0.0006    0.0005       16.9701   16.9668        0.0177    0.0174
 4      0.0144    0.0174       -0.0000    0.0000        0.0005    0.0005
 5    -16.2365  -16.2355       -0.0005   -0.0005        0.0009    0.0009
 6     -0.0177   -0.0174       -0.0009   -0.0009        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0027   -0.0027       -0.0015   -0.0015
 2      0.0521    0.0521        0.0000    0.0000       -0.0015   -0.0015
 3      0.0521    0.0521       -0.0027   -0.0027        0.0000    0.0000
 4     -0.0027   -0.0027       -0.0521   -0.0521       -2.1941   -2.1941
 5      0.0015    0.0015       50.9005   50.9005        0.0521    0.0521
 6    -48.7064  -48.7064       -0.0015   -0.0015        0.0027    0.0027
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2119    0.0000       -0.0022   -0.0036        0.0029    0.0020
 2      0.0063    0.0036        0.0086    0.0695        2.9320    2.9254
 3     -0.0028   -0.0020      -67.8368  -67.8674       -0.1510   -0.0695
 4      0.0075   -0.0695       -0.0002    0.0000        0.0005   -0.0020
 5     64.9606   64.9419        0.0034    0.0020       -0.0068   -0.0036
 6      0.0998    0.0695        0.0039    0.0036       -0.0005    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.9811    0.0000       -0.0237   -0.0150        0.0685    0.0632
 2      0.0184    0.0150       -3.2090   -3.7744       -9.5407   -9.1295
 3     -0.0559   -0.0632       -3.0619   -3.9675        3.5134    3.7744
 4      4.5105    3.7744        0.0161    0.0000       -0.0879   -0.0632
 5     11.6044   13.0970        0.0423    0.0632        0.0166   -0.0150
 6     -3.7092   -3.7744        0.0125    0.0150        0.0109    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    103.1163  103.2136        0.4975    0.4979        0.0027    0.0069
 2    108.4930  108.5476        0.4991    0.4981        0.0021    0.0069
 3    108.4191  108.5476        0.4985    0.4979       -0.0071   -0.0001
 4     -0.0074   -0.0002       -5.3361   -5.3340        3.2653    3.1241
 5     -0.0064   -0.0070      -33.0641  -33.3174        5.3671    5.3340
 6     30.1773   30.1933        0.0048    0.0070        0.0030    0.0002
 Full mass-weighted force constant matrix:
 Low frequencies ---  -18.7638  -13.0428   -5.2346   -0.0003    0.0004    0.0005
 Low frequencies ---   87.2320   90.4818  111.3947
 Diagonal vibrational polarizability:
       15.2900420      13.7720291      12.4000970
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     87.2132                90.4421               111.3698
 Red. masses --      3.0313                 2.9985                 2.8527
 Frc consts  --      0.0136                 0.0145                 0.0208
 IR Inten    --      0.0214                 0.0119                 0.1948
 RamAct Fr= 1--      1.0398                 1.0674                 0.0739
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1485                 0.1525                 0.0106
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0990                -0.3070                 0.0502
 Delta2 Fr= 1--     -0.0472                -0.0553                -0.0014
 Raman1 Fr= 1--       4.159                  4.270                  0.296
 ROA1   Fr= 1--       7.998                -31.247                  4.773
 CID1   Fr= 1--       1.923                 -7.318                 16.147
 Raman2 Fr= 1--       1.782                  1.830                  0.127
 ROA2   Fr= 1--       2.755                 -6.927                  1.215
 CID2   Fr= 1--       1.545                 -3.785                  9.593
 Raman3 Fr= 1--       3.565                  3.660                  0.253
 ROA3   Fr= 1--       7.998                -31.247                  4.773
 CID3   Fr= 1--       2.243                 -8.538                 18.838
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02  -0.00    -0.04   0.20   0.08     0.06  -0.01  -0.09
     2   6    -0.04   0.03   0.00     0.04   0.20   0.08    -0.06  -0.01  -0.09
     3   7    -0.05   0.03   0.02    -0.03  -0.00  -0.04    -0.06   0.06   0.03
     4  45    -0.04  -0.00   0.00     0.00  -0.04  -0.01     0.00  -0.01   0.06
     5   7    -0.02  -0.05  -0.01     0.01  -0.02   0.03     0.02  -0.08   0.03
     6   6     0.11  -0.16   0.06    -0.08   0.04   0.00    -0.05   0.04  -0.10
     7   6     0.16  -0.05   0.05    -0.13  -0.01  -0.03    -0.07   0.00  -0.11
     8   7    -0.01   0.01  -0.03    -0.06  -0.04  -0.01     0.06   0.01   0.02
     9   7    -0.04  -0.03  -0.02     0.04  -0.00  -0.03     0.06   0.06   0.03
    10   7    -0.02   0.05   0.01    -0.01  -0.02   0.03    -0.02  -0.08   0.02
    11   6     0.11   0.16  -0.06     0.07   0.03   0.01     0.04   0.03  -0.10
    12   6     0.17   0.05  -0.05     0.11  -0.02  -0.03     0.07   0.00  -0.11
    13   7    -0.01  -0.02   0.03     0.06  -0.04  -0.01    -0.06   0.01   0.02
    14   1     0.04  -0.28   0.06    -0.07   0.10   0.03     0.01   0.16  -0.10
    15   1     0.21  -0.19   0.11    -0.11   0.05  -0.01    -0.13   0.01  -0.19
    16   1     0.24   0.07   0.03    -0.14  -0.07  -0.05    -0.14  -0.12  -0.12
    17   1     0.23  -0.11   0.09    -0.18   0.02  -0.05    -0.11   0.09  -0.21
    18   1     0.26  -0.07  -0.04     0.13  -0.07  -0.05     0.14  -0.12  -0.12
    19   1     0.24   0.12  -0.10     0.17   0.02  -0.04     0.10   0.09  -0.21
    20   1     0.05   0.28  -0.06     0.06   0.09   0.03    -0.01   0.15  -0.09
    21   1     0.22   0.19  -0.11     0.09   0.04  -0.00     0.12   0.01  -0.19
    22   1    -0.08   0.10   0.10    -0.05   0.00   0.08    -0.05  -0.08   0.13
    23   1    -0.03  -0.06  -0.04    -0.04  -0.07  -0.00    -0.04  -0.20  -0.03
    24   1    -0.00  -0.10   0.13     0.08  -0.07  -0.01    -0.08  -0.01   0.12
    25   1    -0.12   0.02  -0.03     0.05  -0.01  -0.02    -0.18   0.06  -0.04
    26   1    -0.04  -0.03  -0.06     0.17   0.03  -0.14     0.02   0.04   0.12
    27   1    -0.04  -0.07  -0.02    -0.01  -0.13  -0.03     0.11   0.15   0.03
    28   1    -0.01   0.09  -0.13    -0.08  -0.08   0.00     0.08  -0.01   0.12
    29   1    -0.12  -0.02   0.03    -0.04  -0.01  -0.02     0.18   0.06  -0.04
    30   1    -0.08  -0.10  -0.09     0.06   0.01   0.09     0.05  -0.08   0.13
    31   1    -0.03   0.05   0.04     0.04  -0.07  -0.01     0.05  -0.20  -0.03
    32   1    -0.05  -0.03   0.03    -0.23   0.20   0.09     0.15  -0.01  -0.10
    33   1    -0.04  -0.02  -0.02     0.02   0.34   0.14     0.06  -0.05  -0.16
    34   1    -0.05   0.04   0.02    -0.02   0.34   0.14    -0.06  -0.05  -0.16
    35   1    -0.04   0.04  -0.02     0.23   0.20   0.09    -0.15  -0.01  -0.10
    36   1    -0.04   0.06   0.02     0.01  -0.13  -0.03    -0.11   0.15   0.03
    37   1    -0.05   0.03   0.05    -0.16   0.03  -0.15    -0.02   0.04   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    142.4225               143.9151               160.6105
 Red. masses --      2.9021                 2.9067                 2.7002
 Frc consts  --      0.0347                 0.0355                 0.0410
 IR Inten    --      0.3605                 0.6318                 0.0271
 RamAct Fr= 1--      0.2022                 0.3279                 1.8166
  Dep-P Fr= 1--      0.7500                 0.7201                 0.7391
  Dep-U Fr= 1--      0.8571                 0.8373                 0.8500
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0003
 Beta2  Fr= 1--      0.0289                 0.0458                 0.2574
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0052
 Gamma2 Fr= 1--      0.8510                 1.0633                -2.2960
 Delta2 Fr= 1--      0.2259                 0.2861                -0.8413
 Raman1 Fr= 1--       0.809                  1.311                  7.266
 ROA1   Fr= 1--      88.928                111.230               -247.342
 CID1   Fr= 1--     109.927                 84.812                -34.039
 Raman2 Fr= 1--       0.347                  0.549                  3.088
 ROA2   Fr= 1--      18.618                 23.230                -48.375
 CID2   Fr= 1--      53.702                 42.309                -15.664
 Raman3 Fr= 1--       0.693                  1.098                  6.176
 ROA3   Fr= 1--      88.928                111.230               -247.342
 CID3   Fr= 1--     128.252                101.294                -40.046
 RC180  Fr= 1--       0.714                  0.675                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.08     0.03  -0.11  -0.02    -0.03   0.09   0.01
     2   6    -0.02   0.04  -0.09     0.03   0.11   0.01    -0.03  -0.09  -0.01
     3   7    -0.05   0.01  -0.04     0.02   0.13   0.09    -0.00  -0.09  -0.07
     4  45    -0.00  -0.02  -0.00     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   7    -0.10   0.06  -0.06     0.06   0.03   0.07     0.09  -0.04   0.08
     6   6    -0.06   0.04  -0.05    -0.01   0.03   0.12     0.04  -0.02   0.08
     7   6     0.01  -0.02   0.13    -0.06   0.02   0.03    -0.03   0.02  -0.08
     8   7     0.07  -0.09   0.09    -0.08   0.01  -0.01    -0.08   0.05  -0.07
     9   7     0.05   0.03  -0.03     0.02  -0.13  -0.09    -0.00   0.09   0.07
    10   7     0.09   0.06  -0.05     0.07  -0.02  -0.07     0.09   0.04  -0.08
    11   6     0.06   0.04  -0.04    -0.00  -0.02  -0.13     0.04   0.02  -0.08
    12   6    -0.01  -0.02   0.13    -0.06  -0.02  -0.02    -0.03  -0.02   0.08
    13   7    -0.06  -0.09   0.09    -0.09  -0.02   0.02    -0.08  -0.05   0.07
    14   1     0.05   0.02  -0.17    -0.07   0.02   0.18    -0.05   0.00   0.18
    15   1    -0.16   0.10  -0.08     0.05   0.03   0.17     0.13  -0.06   0.11
    16   1    -0.05   0.06   0.24    -0.02  -0.01  -0.02     0.03  -0.05  -0.18
    17   1     0.09  -0.09   0.18    -0.12   0.03   0.05    -0.11   0.07  -0.11
    18   1     0.06   0.06   0.24    -0.02   0.01   0.04     0.03   0.05   0.18
    19   1    -0.07  -0.09   0.18    -0.13  -0.04  -0.03    -0.11  -0.07   0.10
    20   1    -0.04   0.03  -0.15    -0.07  -0.02  -0.20    -0.05  -0.00  -0.19
    21   1     0.15   0.10  -0.06     0.06  -0.02  -0.18     0.13   0.06  -0.11
    22   1     0.10   0.11  -0.16     0.09  -0.04  -0.11     0.11   0.07  -0.17
    23   1     0.18   0.10  -0.00     0.12  -0.03  -0.05     0.18   0.07  -0.03
    24   1    -0.08  -0.11   0.19    -0.13   0.01   0.10    -0.11  -0.05   0.17
    25   1    -0.12  -0.17   0.05    -0.15  -0.05  -0.02    -0.14  -0.11   0.03
    26   1     0.07   0.03  -0.01    -0.00  -0.12  -0.23     0.03   0.08   0.14
    27   1     0.08   0.04  -0.03     0.05  -0.27  -0.08    -0.01   0.16   0.06
    28   1     0.10  -0.11   0.20    -0.12  -0.02  -0.08    -0.11   0.05  -0.17
    29   1     0.14  -0.17   0.04    -0.14   0.03   0.03    -0.15   0.11  -0.03
    30   1    -0.11   0.10  -0.17     0.08   0.05   0.10     0.10  -0.07   0.17
    31   1    -0.19   0.09  -0.01     0.10   0.04   0.05     0.18  -0.07   0.03
    32   1     0.01   0.06  -0.10     0.06  -0.18   0.12    -0.07   0.16  -0.11
    33   1     0.05   0.08  -0.10     0.02  -0.18  -0.11    -0.01   0.17   0.09
    34   1    -0.05   0.06  -0.11     0.02   0.18   0.10    -0.01  -0.17  -0.09
    35   1    -0.02   0.04  -0.09     0.05   0.19  -0.13    -0.07  -0.16   0.11
    36   1    -0.09   0.01  -0.03     0.04   0.27   0.07    -0.01  -0.16  -0.06
    37   1    -0.07   0.01  -0.04    -0.01   0.12   0.23     0.03  -0.08  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.1110               214.6581               218.6226
 Red. masses --      2.7389                 2.7547                 2.9959
 Frc consts  --      0.0740                 0.0748                 0.0844
 IR Inten    --      6.3106                 6.0446                13.5935
 RamAct Fr= 1--      3.1329                 2.7878                 0.0332
  Dep-P Fr= 1--      0.7455                 0.7500                 0.7492
  Dep-U Fr= 1--      0.8542                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4460                 0.3983                 0.0047
 AlphaG Fr= 1--     -0.0015                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.9470                -0.9274                -0.0680
 Delta2 Fr= 1--     -0.0630                 0.0237                -0.0186
 Raman1 Fr= 1--      12.531                 11.151                  0.133
 ROA1   Fr= 1--     -92.924                -88.273                 -7.123
 CID1   Fr= 1--      -7.415                 -7.916                -53.609
 Raman2 Fr= 1--       5.352                  4.779                  0.057
 ROA2   Fr= 1--     -22.223                -22.448                 -1.483
 CID2   Fr= 1--      -4.152                 -4.697                -26.065
 Raman3 Fr= 1--      10.704                  9.558                  0.114
 ROA3   Fr= 1--     -92.924                -88.273                 -7.123
 CID3   Fr= 1--      -8.681                 -9.235                -62.583
 RC180  Fr= 1--       0.708                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03  -0.00     0.05   0.02  -0.02     0.00   0.03  -0.04
     2   6    -0.08   0.03   0.00    -0.05   0.02  -0.02    -0.00   0.03  -0.04
     3   7    -0.07   0.03  -0.01    -0.02   0.14   0.10    -0.07  -0.09  -0.04
     4  45    -0.01   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.07
     5   7     0.10  -0.11   0.07    -0.07  -0.02  -0.05    -0.13  -0.01  -0.03
     6   6     0.01  -0.02  -0.01    -0.05  -0.08   0.03    -0.01  -0.07  -0.04
     7   6    -0.03  -0.08  -0.02    -0.05  -0.05   0.00     0.05   0.03  -0.04
     8   7     0.09  -0.08   0.08    -0.11  -0.02  -0.03    -0.06   0.10  -0.03
     9   7    -0.07  -0.04   0.00     0.01   0.14   0.10     0.07  -0.09  -0.04
    10   7     0.09   0.11  -0.06     0.07  -0.01  -0.05     0.13  -0.01  -0.03
    11   6     0.01   0.03   0.00     0.05  -0.08   0.03     0.01  -0.06  -0.04
    12   6    -0.03   0.08   0.02     0.05  -0.04   0.00    -0.05   0.03  -0.04
    13   7     0.08   0.08  -0.08     0.12  -0.02  -0.03     0.06   0.10  -0.03
    14   1     0.06   0.09   0.00    -0.11  -0.16   0.06    -0.04  -0.13  -0.05
    15   1    -0.06  -0.02  -0.06     0.03  -0.08   0.10     0.04  -0.11  -0.05
    16   1    -0.09  -0.20  -0.03    -0.00  -0.02  -0.02     0.09   0.10  -0.04
    17   1    -0.07   0.01  -0.10    -0.04  -0.06   0.02     0.12   0.00  -0.04
    18   1    -0.09   0.20   0.03    -0.00  -0.00  -0.02    -0.09   0.10  -0.04
    19   1    -0.07  -0.00   0.10     0.03  -0.06   0.02    -0.12   0.00  -0.04
    20   1     0.05  -0.07  -0.01     0.11  -0.16   0.06     0.04  -0.13  -0.05
    21   1    -0.05   0.03   0.05    -0.03  -0.08   0.10    -0.04  -0.11  -0.05
    22   1     0.12   0.15  -0.23     0.09   0.01  -0.13     0.17  -0.01  -0.16
    23   1     0.20   0.21   0.02     0.11   0.07  -0.01     0.23   0.05   0.03
    24   1     0.13   0.08  -0.22     0.15  -0.01  -0.13     0.09   0.15  -0.17
    25   1     0.22   0.10   0.00     0.21   0.01   0.02     0.17   0.17   0.04
    26   1    -0.08  -0.04  -0.01    -0.02   0.11   0.29     0.11  -0.06  -0.18
    27   1    -0.07  -0.04   0.00     0.01   0.32   0.08     0.12  -0.22  -0.02
    28   1     0.14  -0.08   0.23    -0.14  -0.02  -0.12    -0.09   0.15  -0.16
    29   1     0.23  -0.10  -0.00    -0.19   0.01   0.02    -0.17   0.16   0.04
    30   1     0.13  -0.15   0.24    -0.08  -0.00  -0.12    -0.17  -0.01  -0.16
    31   1     0.21  -0.22  -0.02    -0.10   0.05  -0.01    -0.23   0.05   0.03
    32   1    -0.07  -0.06   0.04     0.19   0.02  -0.02    -0.09   0.03  -0.03
    33   1    -0.08  -0.05  -0.04     0.02  -0.06  -0.08     0.06   0.11  -0.04
    34   1    -0.07   0.05   0.04    -0.03  -0.05  -0.08    -0.06   0.11  -0.04
    35   1    -0.05   0.06  -0.04    -0.19   0.02  -0.02     0.09   0.03  -0.03
    36   1    -0.06   0.02  -0.01    -0.02   0.32   0.08    -0.12  -0.22  -0.02
    37   1    -0.08   0.03  -0.01     0.01   0.11   0.29    -0.11  -0.06  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.0949               293.8793               305.0080
 Red. masses --      4.5464                 2.0369                 1.9489
 Frc consts  --      0.1649                 0.1036                 0.1068
 IR Inten    --      0.0102                 1.9235                 1.2407
 RamAct Fr= 1--     18.0070                 1.8921                 0.5482
  Dep-P Fr= 1--      0.0885                 0.5552                 0.6773
  Dep-U Fr= 1--      0.1626                 0.7140                 0.8076
 Alpha2 Fr= 1--      0.3243                 0.0070                 0.0007
 Beta2  Fr= 1--      0.4879                 0.2252                 0.0738
 AlphaG Fr= 1--      0.0769                -0.0219                 0.0016
 Gamma2 Fr= 1--      4.9212                -0.6265                -0.4565
 Delta2 Fr= 1--      0.5252                -0.2231                 0.0129
 Raman1 Fr= 1--      72.028                  7.568                  2.193
 ROA1   Fr= 1--     489.243                -67.284                -43.409
 CID1   Fr= 1--       6.792                 -8.890                -19.795
 Raman2 Fr= 1--       5.855                  2.702                  0.885
 ROA2   Fr= 1--     113.908                -13.252                -11.059
 CID2   Fr= 1--      19.454                 -4.904                -12.490
 Raman3 Fr= 1--      11.711                  5.404                  1.771
 ROA3   Fr= 1--     489.243                -67.284                -43.409
 CID3   Fr= 1--      41.777                -12.451                -24.511
 RC180  Fr= 1--      -0.675                  0.428                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17   0.00  -0.00    -0.09   0.11   0.01    -0.01   0.00  -0.01
     2   6     0.17  -0.00   0.00    -0.09  -0.11  -0.01     0.03  -0.00  -0.01
     3   7     0.13  -0.05   0.02     0.02   0.08   0.03     0.03  -0.01  -0.03
     4  45     0.00   0.00  -0.00     0.04   0.00   0.00    -0.00   0.04   0.00
     5   7    -0.05  -0.11  -0.05     0.00  -0.01  -0.04    -0.03   0.01  -0.03
     6   6    -0.08  -0.17   0.02    -0.02  -0.02  -0.01    -0.01  -0.07   0.06
     7   6    -0.10  -0.15  -0.03    -0.02  -0.04   0.02    -0.06  -0.04  -0.05
     8   7    -0.08  -0.09   0.05    -0.03  -0.04   0.00     0.05  -0.01   0.06
     9   7     0.13   0.06  -0.02     0.02  -0.08  -0.04    -0.02  -0.01  -0.04
    10   7    -0.06   0.11   0.05     0.00   0.01   0.04     0.04   0.03  -0.04
    11   6    -0.08   0.17  -0.02    -0.02   0.02   0.01     0.01  -0.08   0.08
    12   6    -0.10   0.15   0.03    -0.02   0.04  -0.02     0.07  -0.05  -0.07
    13   7    -0.08   0.09  -0.05    -0.03   0.04  -0.00    -0.06  -0.01   0.07
    14   1    -0.14  -0.22   0.06    -0.01  -0.03  -0.03    -0.13  -0.15   0.15
    15   1    -0.01  -0.15   0.09    -0.04   0.01   0.01     0.12  -0.08   0.16
    16   1    -0.10  -0.22  -0.06    -0.02  -0.02   0.04    -0.08  -0.21  -0.12
    17   1    -0.11  -0.09  -0.10    -0.01  -0.06   0.03    -0.14   0.08  -0.16
    18   1    -0.10   0.22   0.06    -0.02   0.02  -0.04     0.10  -0.26  -0.18
    19   1    -0.11   0.08   0.10    -0.00   0.06  -0.03     0.18   0.11  -0.21
    20   1    -0.14   0.22  -0.06    -0.01   0.03   0.03     0.17  -0.19   0.19
    21   1    -0.01   0.15  -0.09    -0.04  -0.01  -0.00    -0.18  -0.10   0.21
    22   1    -0.06   0.12   0.06     0.02  -0.02   0.07     0.08   0.03  -0.16
    23   1    -0.04   0.07   0.05    -0.02  -0.00   0.03     0.09   0.16   0.03
    24   1    -0.09   0.09  -0.03    -0.06   0.06   0.06    -0.10  -0.03   0.23
    25   1    -0.07   0.04  -0.05    -0.07   0.02  -0.03    -0.23  -0.01  -0.03
    26   1     0.10   0.05   0.00     0.12  -0.04  -0.21    -0.03  -0.00  -0.09
    27   1     0.12   0.08  -0.03     0.01  -0.25  -0.02    -0.00  -0.06  -0.03
    28   1    -0.09  -0.10   0.03    -0.06  -0.06  -0.06     0.08  -0.02   0.19
    29   1    -0.07  -0.04   0.05    -0.07  -0.02   0.03     0.18  -0.02  -0.01
    30   1    -0.06  -0.12  -0.06     0.01   0.02  -0.07    -0.06   0.00  -0.10
    31   1    -0.04  -0.07  -0.05    -0.02   0.00  -0.03    -0.05   0.10   0.01
    32   1     0.21   0.00  -0.00    -0.33   0.20  -0.14    -0.04   0.01  -0.02
    33   1     0.14  -0.05   0.01     0.00   0.34   0.15    -0.02   0.01   0.02
    34   1     0.14   0.05  -0.01     0.00  -0.34  -0.15     0.03   0.01   0.01
    35   1     0.21  -0.00   0.00    -0.33  -0.20   0.14     0.05   0.00  -0.02
    36   1     0.12  -0.07   0.03     0.01   0.25   0.02     0.01  -0.06  -0.03
    37   1     0.11  -0.05   0.00     0.12   0.04   0.21     0.04  -0.01  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    305.3508               325.1912               332.0835
 Red. masses --      1.8025                 3.6329                 2.9190
 Frc consts  --      0.0990                 0.2263                 0.1897
 IR Inten    --      0.7339                 7.9894                 7.1555
 RamAct Fr= 1--      2.0966                 3.3734                 2.7110
  Dep-P Fr= 1--      0.0931                 0.7500                 0.7499
  Dep-U Fr= 1--      0.1704                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0373                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0596                 0.4819                 0.3873
 AlphaG Fr= 1--      0.0803                 0.0000                 0.0001
 Gamma2 Fr= 1--     -0.0187                -0.7724                -2.6509
 Delta2 Fr= 1--     -0.0941                -0.2074                -0.0244
 Raman1 Fr= 1--       8.387                 13.493                 10.844
 ROA1   Fr= 1--      -4.803                -80.789               -255.270
 CID1   Fr= 1--      -0.573                 -5.987                -23.540
 Raman2 Fr= 1--       0.715                  5.783                  4.647
 ROA2   Fr= 1--       0.304                -16.879                -63.427
 CID2   Fr= 1--       0.426                 -2.919                -13.649
 Raman3 Fr= 1--       1.429                 11.566                  9.294
 ROA3   Fr= 1--      -4.803                -80.789               -255.270
 CID3   Fr= 1--      -3.361                 -6.985                -27.466
 RC180  Fr= 1--      -0.659                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.00    -0.04  -0.01   0.00    -0.07  -0.08  -0.00
     2   6     0.04  -0.02   0.00     0.04  -0.02   0.00    -0.07   0.08   0.00
     3   7     0.03  -0.01   0.03     0.06   0.01  -0.06    -0.10  -0.02  -0.08
     4  45    -0.02  -0.00  -0.00    -0.00   0.10   0.00     0.09   0.00  -0.00
     5   7     0.03  -0.07   0.05    -0.01  -0.14  -0.00     0.01  -0.02  -0.05
     6   6    -0.02   0.05  -0.08    -0.08  -0.07  -0.07    -0.02  -0.02  -0.04
     7   6     0.05   0.02   0.09    -0.02  -0.08   0.07    -0.01  -0.05   0.03
     8   7    -0.06   0.00  -0.02    -0.08  -0.03   0.06    -0.08  -0.05  -0.03
     9   7     0.04   0.01  -0.02    -0.06   0.01  -0.06    -0.10   0.02   0.08
    10   7     0.02   0.07  -0.04     0.01  -0.14  -0.00     0.01   0.02   0.05
    11   6    -0.02  -0.03   0.06     0.08  -0.07  -0.07    -0.02   0.02   0.04
    12   6     0.03  -0.01  -0.07     0.02  -0.08   0.07    -0.01   0.05  -0.03
    13   7    -0.05   0.00   0.01     0.08  -0.03   0.06    -0.08   0.05   0.03
    14   1     0.15   0.17  -0.19     0.03  -0.01  -0.14     0.03  -0.01  -0.09
    15   1    -0.21   0.07  -0.20    -0.20  -0.04  -0.12    -0.09   0.03  -0.04
    16   1     0.06   0.21   0.19    -0.04   0.02   0.15     0.01   0.04   0.07
    17   1     0.17  -0.12   0.20     0.10  -0.14   0.08     0.03  -0.11   0.09
    18   1     0.04  -0.15  -0.15     0.04   0.02   0.15     0.01  -0.04  -0.07
    19   1     0.13   0.10  -0.15    -0.10  -0.15   0.08     0.03   0.11  -0.09
    20   1     0.11  -0.13   0.14    -0.03  -0.01  -0.14     0.03   0.01   0.08
    21   1    -0.17  -0.04   0.15     0.20  -0.04  -0.12    -0.08  -0.03   0.04
    22   1     0.05   0.11  -0.20    -0.02  -0.20   0.21     0.03  -0.01   0.08
    23   1     0.12   0.19   0.05    -0.12  -0.27  -0.11    -0.04   0.03   0.03
    24   1    -0.07  -0.02   0.10     0.09  -0.01  -0.01    -0.15   0.08   0.22
    25   1    -0.14   0.01  -0.05     0.14  -0.06   0.09    -0.24  -0.02  -0.07
    26   1     0.05   0.02  -0.04    -0.10   0.02  -0.18    -0.17  -0.01   0.25
    27   1     0.04  -0.01  -0.01    -0.04  -0.10  -0.05    -0.12   0.21   0.05
    28   1    -0.09   0.03  -0.15    -0.09  -0.01  -0.01    -0.15  -0.08  -0.22
    29   1    -0.20  -0.01   0.05    -0.14  -0.06   0.09    -0.24   0.01   0.07
    30   1     0.07  -0.11   0.24     0.02  -0.20   0.21     0.03   0.01  -0.07
    31   1     0.14  -0.22  -0.05     0.12  -0.27  -0.11    -0.04  -0.04  -0.03
    32   1     0.04   0.02  -0.02    -0.04  -0.02   0.01     0.07  -0.14   0.10
    33   1     0.04   0.02   0.02    -0.06  -0.03   0.04    -0.10  -0.20  -0.13
    34   1     0.04  -0.02  -0.03     0.06  -0.03   0.04    -0.10   0.20   0.13
    35   1     0.03  -0.03   0.02     0.04  -0.02   0.01     0.07   0.14  -0.10
    36   1     0.04   0.03   0.02     0.04  -0.10  -0.05    -0.12  -0.21  -0.05
    37   1     0.04  -0.02   0.07     0.10   0.02  -0.18    -0.17   0.01  -0.25
                     16                     17                     18
                      A                      A                      A
 Frequencies --    398.9203               403.0894               405.1945
 Red. masses --      4.0067                 4.1140                 4.8997
 Frc consts  --      0.3757                 0.3938                 0.4740
 IR Inten    --      1.0691                 0.8622                 3.4158
 RamAct Fr= 1--      0.9351                 4.1805                 5.2453
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7486
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8563
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.1336                 0.5972                 0.7486
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0034
 Gamma2 Fr= 1--     -0.3473                 0.7989                -2.2470
 Delta2 Fr= 1--     -0.0915                -0.0021                -0.0370
 Raman1 Fr= 1--       3.741                 16.722                 20.981
 ROA1   Fr= 1--     -36.274                 76.624               -216.893
 CID1   Fr= 1--      -9.697                  4.582                -10.337
 Raman2 Fr= 1--       1.603                  7.166                  8.983
 ROA2   Fr= 1--      -7.604                 19.190                -53.631
 CID2   Fr= 1--      -4.743                  2.678                 -5.971
 Raman3 Fr= 1--       3.206                 14.333                 17.965
 ROA3   Fr= 1--     -36.274                 76.624               -216.893
 CID3   Fr= 1--     -11.314                  5.346                -12.073
 RC180  Fr= 1--       0.714                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.02    -0.13   0.01  -0.09    -0.03   0.01  -0.00
     2   6     0.02   0.00  -0.02     0.13   0.01  -0.09    -0.02  -0.01  -0.00
     3   7     0.04   0.03  -0.02     0.21   0.11  -0.11    -0.02  -0.00   0.02
     4  45    -0.00   0.02   0.09    -0.00  -0.07   0.04     0.08  -0.00   0.00
     5   7     0.10   0.09  -0.09    -0.01  -0.01   0.02    -0.15  -0.12   0.14
     6   6     0.10   0.04  -0.04    -0.01   0.00  -0.01    -0.10  -0.07   0.03
     7   6     0.00  -0.12  -0.03     0.01   0.03   0.01    -0.00   0.11   0.02
     8   7    -0.04  -0.15  -0.09    -0.01   0.06   0.04     0.03   0.16   0.11
     9   7    -0.04   0.03  -0.02    -0.20   0.11  -0.11    -0.03   0.01  -0.03
    10   7    -0.10   0.09  -0.09     0.01  -0.02   0.02    -0.15   0.12  -0.14
    11   6    -0.09   0.04  -0.04     0.01  -0.00  -0.00    -0.10   0.07  -0.03
    12   6    -0.00  -0.12  -0.03    -0.01   0.03   0.01    -0.00  -0.11  -0.02
    13   7     0.04  -0.14  -0.08     0.01   0.07   0.05     0.03  -0.16  -0.11
    14   1     0.15   0.05  -0.08     0.00   0.02  -0.01    -0.13  -0.06   0.07
    15   1     0.01   0.16   0.01    -0.02  -0.01  -0.02    -0.03  -0.21  -0.05
    16   1     0.02  -0.17  -0.08     0.01   0.03   0.01    -0.03   0.12   0.05
    17   1    -0.14  -0.10   0.02     0.05   0.03  -0.02     0.13   0.12  -0.06
    18   1    -0.02  -0.16  -0.08    -0.01   0.04   0.01    -0.03  -0.13  -0.05
    19   1     0.14  -0.10   0.02    -0.05   0.04  -0.02     0.13  -0.12   0.06
    20   1    -0.14   0.05  -0.08     0.00   0.02  -0.01    -0.14   0.06  -0.07
    21   1    -0.01   0.15   0.01     0.02  -0.01  -0.02    -0.03   0.21   0.05
    22   1    -0.08   0.13  -0.24    -0.01   0.05  -0.07    -0.15   0.12  -0.15
    23   1     0.03   0.16  -0.00     0.10  -0.01   0.07    -0.18   0.18  -0.13
    24   1     0.10  -0.16  -0.26     0.01   0.09  -0.01     0.01  -0.12  -0.10
    25   1     0.18  -0.05   0.01     0.03   0.13   0.07     0.05  -0.22  -0.11
    26   1    -0.09   0.04  -0.15    -0.22   0.08   0.09    -0.05   0.01  -0.05
    27   1     0.03  -0.08  -0.00    -0.24   0.29  -0.13    -0.07  -0.01  -0.03
    28   1    -0.10  -0.17  -0.27    -0.01   0.09  -0.01     0.01   0.12   0.09
    29   1    -0.18  -0.06   0.01    -0.04   0.12   0.07     0.05   0.23   0.12
    30   1     0.08   0.13  -0.24     0.01   0.06  -0.08    -0.15  -0.11   0.14
    31   1    -0.03   0.16  -0.01    -0.10  -0.00   0.06    -0.19  -0.18   0.13
    32   1     0.00   0.00  -0.01    -0.17   0.05  -0.16    -0.04   0.01  -0.01
    33   1    -0.04  -0.02   0.01    -0.22  -0.00   0.10    -0.04   0.01   0.02
    34   1     0.04  -0.02   0.01     0.22   0.00   0.11    -0.02  -0.01  -0.02
    35   1     0.00   0.00  -0.01     0.17   0.05  -0.16    -0.03  -0.01  -0.00
    36   1    -0.02  -0.08  -0.00     0.24   0.29  -0.14    -0.06   0.02   0.03
    37   1     0.09   0.04  -0.15     0.22   0.08   0.08    -0.04  -0.01   0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    460.7618               464.1151               501.6388
 Red. masses --      3.8961                 4.1288                 4.1520
 Frc consts  --      0.4873                 0.5240                 0.6156
 IR Inten    --      6.4781                 8.0974                 0.0324
 RamAct Fr= 1--      5.0477                 5.2612                51.2023
  Dep-P Fr= 1--      0.7499                 0.7499                 0.0030
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0060
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.1299
 Beta2  Fr= 1--      0.7211                 0.7516                 0.0509
 AlphaG Fr= 1--      0.0015                -0.0000                 0.1779
 Gamma2 Fr= 1--      0.7491                 1.4620                -0.9950
 Delta2 Fr= 1--     -0.0541                -0.1810                 0.0234
 Raman1 Fr= 1--      20.191                 21.045                204.809
 ROA1   Fr= 1--      70.181                134.561                -94.771
 CID1   Fr= 1--       3.476                  6.394                 -0.463
 Raman2 Fr= 1--       8.653                  9.019                  0.611
 ROA2   Fr= 1--      18.411                 36.537                -24.067
 CID2   Fr= 1--       2.128                  4.051                -39.403
 Raman3 Fr= 1--      17.305                 18.037                  1.222
 ROA3   Fr= 1--      70.181                134.561                -94.771
 CID3   Fr= 1--       4.055                  7.460                -77.581
 RC180  Fr= 1--       0.714                  0.714                 -0.988
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.01    -0.02  -0.00  -0.01    -0.01  -0.02   0.01
     2   6    -0.03   0.03  -0.01     0.02  -0.00  -0.01    -0.01   0.02  -0.01
     3   7     0.09   0.14  -0.20     0.04   0.03  -0.02     0.08   0.11  -0.14
     4  45    -0.03   0.00  -0.00    -0.00   0.03   0.01     0.00  -0.00   0.00
     5   7     0.06  -0.01  -0.09    -0.16  -0.02   0.19    -0.12  -0.03   0.15
     6   6    -0.04  -0.03  -0.01     0.00   0.01   0.03    -0.01   0.01   0.02
     7   6    -0.00   0.02   0.02     0.01   0.04  -0.03     0.00   0.02  -0.01
     8   7    -0.04   0.11   0.10     0.06  -0.12  -0.18     0.04  -0.13  -0.16
     9   7     0.10  -0.14   0.20    -0.04   0.03  -0.02     0.08  -0.11   0.14
    10   7     0.05   0.01   0.09     0.16  -0.02   0.19    -0.12   0.03  -0.15
    11   6    -0.04   0.03   0.01    -0.01   0.01   0.03    -0.01  -0.01  -0.02
    12   6    -0.00  -0.03  -0.02    -0.01   0.04  -0.03     0.00  -0.02   0.01
    13   7    -0.03  -0.11  -0.10    -0.06  -0.12  -0.18     0.04   0.13   0.16
    14   1    -0.08  -0.07   0.01    -0.01   0.04   0.05    -0.00   0.03   0.04
    15   1     0.01   0.01   0.07     0.02  -0.12  -0.08    -0.00  -0.09  -0.07
    16   1    -0.02   0.06   0.06     0.04   0.08  -0.03     0.03   0.08  -0.00
    17   1     0.10   0.03  -0.03    -0.07  -0.04   0.10    -0.05  -0.06   0.11
    18   1    -0.02  -0.06  -0.06    -0.04   0.08  -0.03     0.03  -0.08   0.00
    19   1     0.10  -0.02   0.03     0.07  -0.04   0.10    -0.05   0.06  -0.11
    20   1    -0.08   0.07  -0.01     0.00   0.04   0.05    -0.00  -0.04  -0.04
    21   1     0.01  -0.01  -0.07    -0.02  -0.11  -0.08    -0.00   0.09   0.07
    22   1     0.10  -0.00  -0.01     0.23  -0.08   0.13    -0.15   0.03  -0.06
    23   1     0.16   0.03   0.15     0.21  -0.02   0.21    -0.18   0.01  -0.18
    24   1    -0.00  -0.16  -0.14    -0.06  -0.20  -0.07     0.07   0.17   0.03
    25   1    -0.00  -0.08  -0.08    -0.12  -0.21  -0.23     0.11   0.20   0.22
    26   1     0.15  -0.15   0.32    -0.06   0.03  -0.03     0.10  -0.11   0.19
    27   1     0.17  -0.01   0.19    -0.03   0.02  -0.02     0.11  -0.03   0.14
    28   1    -0.00   0.16   0.14     0.06  -0.20  -0.07     0.07  -0.17  -0.03
    29   1    -0.00   0.08   0.08     0.12  -0.21  -0.23     0.11  -0.20  -0.22
    30   1     0.10   0.01   0.01    -0.23  -0.08   0.13    -0.15  -0.03   0.06
    31   1     0.16  -0.03  -0.15    -0.21  -0.02   0.21    -0.18  -0.01   0.18
    32   1    -0.06  -0.04   0.03    -0.01   0.01  -0.02    -0.06  -0.02   0.01
    33   1     0.09   0.07  -0.10    -0.04  -0.01   0.02     0.08   0.07  -0.06
    34   1     0.09  -0.07   0.10     0.04  -0.01   0.02     0.08  -0.07   0.06
    35   1    -0.06   0.04  -0.03     0.01   0.01  -0.02    -0.06   0.02  -0.01
    36   1     0.17   0.01  -0.19     0.03   0.02  -0.02     0.11   0.03  -0.13
    37   1     0.15   0.15  -0.32     0.06   0.03  -0.03     0.10   0.11  -0.19
                     22                     23                     24
                      A                      A                      A
 Frequencies --    536.8886               543.5647               554.4367
 Red. masses --      1.6846                 1.7181                 1.7983
 Frc consts  --      0.2861                 0.2991                 0.3257
 IR Inten    --      2.7066                 2.4561                 1.6797
 RamAct Fr= 1--      0.9025                 0.2238                 0.0972
  Dep-P Fr= 1--      0.2628                 0.7497                 0.7496
  Dep-U Fr= 1--      0.4163                 0.8570                 0.8569
 Alpha2 Fr= 1--      0.0103                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0626                 0.0320                 0.0139
 AlphaG Fr= 1--     -0.0188                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.7603                -0.4388                 0.1717
 Delta2 Fr= 1--      0.5092                -0.1216                 0.1153
 Raman1 Fr= 1--       3.610                  0.895                  0.389
 ROA1   Fr= 1--      89.288                -46.015                 20.172
 CID1   Fr= 1--      24.734                -51.409                 51.882
 Raman2 Fr= 1--       0.751                  0.384                  0.167
 ROA2   Fr= 1--      14.174                 -9.559                  3.198
 CID2   Fr= 1--      18.865                -24.923                 19.197
 Raman3 Fr= 1--       1.503                  0.767                  0.333
 ROA3   Fr= 1--      89.288                -46.015                 20.172
 CID3   Fr= 1--      59.418                -59.989                 60.547
 RC180  Fr= 1--      -0.167                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.08   0.01   0.09    -0.01  -0.00  -0.01
     2   6     0.00   0.00  -0.00    -0.08   0.01   0.08     0.01  -0.00  -0.01
     3   7     0.02   0.02  -0.03     0.00   0.08  -0.08    -0.01  -0.02   0.02
     4  45    -0.01   0.00  -0.00     0.00  -0.02  -0.00    -0.00   0.01  -0.03
     5   7    -0.03   0.02   0.07    -0.01  -0.01   0.02    -0.04   0.01   0.08
     6   6     0.08   0.03  -0.02     0.00   0.00  -0.00     0.08   0.02  -0.02
     7   6     0.02  -0.08  -0.02     0.00  -0.00  -0.00     0.02  -0.09  -0.01
     8   7    -0.03   0.02   0.07     0.01   0.02   0.02    -0.03   0.02   0.07
     9   7     0.02  -0.02   0.03    -0.00   0.08  -0.08     0.01  -0.02   0.01
    10   7    -0.03  -0.02  -0.07     0.01  -0.01   0.03     0.04   0.01   0.08
    11   6     0.08  -0.03   0.02    -0.01   0.00  -0.00    -0.08   0.02  -0.02
    12   6     0.02   0.08   0.02    -0.00  -0.00  -0.00    -0.02  -0.09  -0.01
    13   7    -0.03  -0.02  -0.07    -0.01   0.02   0.02     0.03   0.02   0.07
    14   1     0.24   0.13  -0.14     0.04   0.03  -0.02     0.26   0.13  -0.14
    15   1    -0.13   0.07  -0.14    -0.03  -0.00  -0.03    -0.15   0.06  -0.16
    16   1     0.01  -0.28  -0.13    -0.01  -0.04  -0.02     0.02  -0.29  -0.13
    17   1    -0.13   0.08  -0.14    -0.01   0.03  -0.04    -0.13   0.08  -0.14
    18   1     0.01   0.28   0.13     0.01  -0.04  -0.02    -0.02  -0.29  -0.13
    19   1    -0.12  -0.08   0.14     0.01   0.03  -0.04     0.13   0.08  -0.14
    20   1     0.24  -0.12   0.14    -0.04   0.03  -0.02    -0.26   0.13  -0.15
    21   1    -0.12  -0.07   0.14     0.03  -0.00  -0.03     0.15   0.06  -0.16
    22   1    -0.10  -0.01   0.10     0.01   0.05  -0.10     0.10   0.00  -0.10
    23   1    -0.17  -0.08  -0.15     0.12   0.02   0.09     0.17   0.08   0.16
    24   1    -0.07  -0.07   0.15     0.01   0.01  -0.03     0.04   0.09  -0.06
    25   1    -0.18  -0.14  -0.18     0.03   0.05   0.05     0.12   0.06   0.13
    26   1     0.00  -0.01  -0.02    -0.02   0.11  -0.31     0.03  -0.04   0.13
    27   1     0.05  -0.05   0.04    -0.06  -0.17  -0.06    -0.03   0.09  -0.00
    28   1    -0.07   0.07  -0.15    -0.01   0.01  -0.03    -0.04   0.09  -0.06
    29   1    -0.18   0.14   0.18    -0.02   0.05   0.05    -0.12   0.05   0.13
    30   1    -0.10   0.01  -0.10    -0.01   0.05  -0.10    -0.10   0.00  -0.10
    31   1    -0.17   0.08   0.15    -0.12   0.02   0.08    -0.17   0.07   0.16
    32   1    -0.00  -0.00   0.00     0.33  -0.10   0.27    -0.06   0.02  -0.04
    33   1     0.02   0.01  -0.01    -0.01  -0.26  -0.13     0.02   0.06   0.02
    34   1     0.02  -0.01   0.01     0.01  -0.26  -0.13    -0.02   0.06   0.02
    35   1    -0.00   0.00  -0.00    -0.33  -0.11   0.27     0.06   0.02  -0.04
    36   1     0.05   0.05  -0.04     0.06  -0.17  -0.06     0.03   0.09  -0.00
    37   1     0.00   0.01   0.02     0.02   0.11  -0.31    -0.03  -0.04   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    683.7310               691.0945               713.7975
 Red. masses --      1.2952                 1.2974                 1.3007
 Frc consts  --      0.3567                 0.3651                 0.3905
 IR Inten    --      2.5754                 0.0341                 0.5316
 RamAct Fr= 1--      0.5370                 1.9844                 0.9789
  Dep-P Fr= 1--      0.7498                 0.0502                 0.5527
  Dep-U Fr= 1--      0.8570                 0.0955                 0.7119
 Alpha2 Fr= 1--      0.0000                 0.0392                 0.0037
 Beta2  Fr= 1--      0.0767                 0.0316                 0.1161
 AlphaG Fr= 1--     -0.0000                -0.0066                -0.1150
 Gamma2 Fr= 1--      2.6219                 2.3163                -3.4109
 Delta2 Fr= 1--     -0.0521                -0.0990                 0.2515
 Raman1 Fr= 1--       2.148                  7.938                  3.916
 ROA1   Fr= 1--     250.031                219.198               -319.395
 CID1   Fr= 1--     116.412                 27.615                -81.567
 Raman2 Fr= 1--       0.920                  0.379                  1.394
 ROA2   Fr= 1--      63.341                 56.384                -83.873
 CID2   Fr= 1--      68.821                148.685                -60.177
 Raman3 Fr= 1--       1.841                  0.758                  2.788
 ROA3   Fr= 1--     250.031                219.198               -319.395
 CID3   Fr= 1--     135.831                289.014               -114.579
 RC180  Fr= 1--       0.714                 -0.809                  0.424
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.02   0.00   0.01    -0.00   0.01   0.01
     2   6    -0.01  -0.00   0.01    -0.02  -0.00  -0.01    -0.00  -0.01  -0.01
     3   7    -0.01  -0.01  -0.02    -0.01  -0.05  -0.07    -0.01  -0.04  -0.04
     4  45    -0.00   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7     0.05  -0.03   0.01    -0.03   0.02  -0.01     0.05  -0.04   0.02
     6   6     0.00  -0.02  -0.01    -0.01   0.00  -0.01    -0.00  -0.02  -0.00
     7   6    -0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.02  -0.00   0.00
     8   7    -0.07   0.02  -0.03     0.04  -0.02   0.01    -0.05   0.02  -0.01
     9   7     0.01  -0.01  -0.02    -0.01   0.05   0.07    -0.01   0.04   0.04
    10   7    -0.05  -0.03   0.01    -0.03  -0.02   0.01     0.05   0.04  -0.02
    11   6    -0.00  -0.02  -0.01    -0.01  -0.00   0.01    -0.00   0.02   0.00
    12   6     0.01  -0.00  -0.00     0.01  -0.01   0.01    -0.02   0.00  -0.00
    13   7     0.07   0.02  -0.03     0.04   0.02  -0.01    -0.05  -0.02   0.01
    14   1     0.05   0.05  -0.01    -0.08  -0.06   0.03     0.05   0.06  -0.02
    15   1    -0.05   0.01  -0.02     0.08  -0.02   0.04    -0.08   0.01  -0.04
    16   1     0.03   0.12   0.02    -0.02  -0.01   0.01     0.01   0.09   0.03
    17   1     0.06  -0.08   0.06    -0.00   0.01  -0.01     0.05  -0.06   0.03
    18   1    -0.03   0.12   0.02    -0.02   0.01  -0.01     0.01  -0.09  -0.03
    19   1    -0.06  -0.08   0.06    -0.00  -0.01   0.01     0.05   0.06  -0.04
    20   1    -0.05   0.05  -0.01    -0.08   0.06  -0.03     0.05  -0.06   0.02
    21   1     0.05   0.01  -0.02     0.08   0.02  -0.04    -0.08  -0.01   0.04
    22   1    -0.05   0.09  -0.27    -0.03   0.07  -0.18     0.07  -0.12   0.29
    23   1     0.21   0.04   0.15     0.14   0.04   0.12    -0.22  -0.06  -0.17
    24   1    -0.10   0.13   0.34    -0.04   0.08   0.18     0.05  -0.09  -0.23
    25   1    -0.19  -0.21  -0.21    -0.08  -0.12  -0.10     0.13   0.13   0.14
    26   1     0.04  -0.03   0.10    -0.09   0.10  -0.35    -0.05   0.07  -0.24
    27   1    -0.07   0.09  -0.04     0.17  -0.33   0.13     0.10  -0.24   0.09
    28   1     0.10   0.14   0.34    -0.04  -0.07  -0.18     0.05   0.09   0.23
    29   1     0.19  -0.21  -0.22    -0.08   0.12   0.10     0.13  -0.13  -0.14
    30   1     0.05   0.09  -0.27    -0.03  -0.07   0.18     0.07   0.12  -0.28
    31   1    -0.21   0.04   0.15     0.14  -0.04  -0.11    -0.22   0.06   0.17
    32   1    -0.01  -0.01   0.03     0.11  -0.02   0.03     0.09  -0.01   0.03
    33   1     0.02   0.00   0.00    -0.03  -0.08  -0.07    -0.03  -0.06  -0.04
    34   1    -0.02   0.00   0.00    -0.04   0.08   0.07    -0.03   0.06   0.04
    35   1     0.01  -0.01   0.03     0.11   0.02  -0.03     0.09   0.01  -0.03
    36   1     0.07   0.08  -0.04     0.17   0.34  -0.14     0.10   0.25  -0.09
    37   1    -0.03  -0.03   0.10    -0.09  -0.10   0.35    -0.05  -0.07   0.25
                     28                     29                     30
                      A                      A                      A
 Frequencies --    720.9487               754.9434               772.1579
 Red. masses --      1.4475                 1.4147                 1.4460
 Frc consts  --      0.4433                 0.4750                 0.5080
 IR Inten    --      7.3762                 8.1455                17.6844
 RamAct Fr= 1--      0.0905                 1.0086                 0.8720
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7478
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8557
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0129                 0.1441                 0.1244
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0006
 Gamma2 Fr= 1--     -0.2998                 1.8107                -1.5011
 Delta2 Fr= 1--     -0.0240                 0.1538                -0.0100
 Raman1 Fr= 1--       0.362                  4.034                  3.488
 ROA1   Fr= 1--     -29.545                178.747               -144.429
 CID1   Fr= 1--     -81.574                 44.307                -41.408
 Raman2 Fr= 1--       0.155                  1.729                  1.492
 ROA2   Fr= 1--      -7.002                 42.226                -35.948
 CID2   Fr= 1--     -45.113                 24.423                -24.088
 Raman3 Fr= 1--       0.310                  3.458                  2.985
 ROA3   Fr= 1--     -29.545                178.747               -144.429
 CID3   Fr= 1--     -95.171                 51.692                -48.391
 RC180  Fr= 1--       0.714                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.01     0.02   0.01   0.04     0.01   0.00  -0.00
     2   6    -0.02   0.02   0.01    -0.02   0.01   0.04     0.01  -0.00   0.00
     3   7     0.01  -0.01  -0.04    -0.03  -0.05  -0.08     0.00   0.01   0.00
     4  45     0.00  -0.01   0.01    -0.00   0.01   0.01    -0.02  -0.00  -0.00
     5   7    -0.05   0.07  -0.02     0.01   0.00  -0.00     0.06  -0.04   0.01
     6   6     0.04   0.01  -0.01    -0.02  -0.00  -0.01    -0.03   0.00  -0.01
     7   6     0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.01   0.04  -0.01
     8   7    -0.06   0.01  -0.01     0.04  -0.03   0.00     0.07  -0.03   0.02
     9   7    -0.01  -0.01  -0.04     0.03  -0.05  -0.08     0.00  -0.01  -0.00
    10   7     0.05   0.07  -0.02    -0.01   0.00  -0.00     0.06   0.04  -0.01
    11   6    -0.04   0.01  -0.01     0.02  -0.00  -0.01    -0.03  -0.00   0.01
    12   6    -0.02  -0.03  -0.01     0.00   0.01  -0.01    -0.01  -0.04   0.01
    13   7     0.06   0.01  -0.01    -0.04  -0.03   0.00     0.07   0.03  -0.02
    14   1     0.06  -0.06  -0.06    -0.09  -0.03   0.04    -0.13   0.03   0.10
    15   1     0.01   0.04   0.01     0.06  -0.02   0.03     0.06  -0.05   0.01
    16   1     0.07  -0.07  -0.07    -0.04   0.03   0.04    -0.09   0.09   0.10
    17   1    -0.05  -0.00  -0.01     0.03  -0.01   0.00     0.07  -0.01   0.01
    18   1    -0.06  -0.07  -0.07     0.04   0.03   0.04    -0.09  -0.09  -0.10
    19   1     0.05  -0.00  -0.01    -0.03  -0.01   0.00     0.07   0.01  -0.01
    20   1    -0.06  -0.06  -0.06     0.09  -0.03   0.04    -0.13  -0.03  -0.10
    21   1    -0.01   0.04   0.01    -0.06  -0.02   0.03     0.06   0.05  -0.01
    22   1     0.11  -0.17   0.34    -0.03   0.03  -0.02     0.10  -0.14   0.28
    23   1    -0.27  -0.03  -0.20     0.04  -0.03   0.01    -0.23  -0.01  -0.16
    24   1    -0.07   0.15   0.22     0.04  -0.08  -0.17    -0.08   0.17   0.30
    25   1    -0.10  -0.16  -0.12     0.08   0.11   0.10    -0.14  -0.21  -0.18
    26   1     0.07  -0.02   0.09     0.13  -0.10   0.35     0.00  -0.01   0.04
    27   1    -0.08   0.09  -0.06    -0.24   0.35  -0.16    -0.02   0.04  -0.01
    28   1     0.07   0.15   0.22    -0.04  -0.08  -0.17    -0.08  -0.17  -0.30
    29   1     0.10  -0.16  -0.12    -0.08   0.11   0.10    -0.14   0.21   0.18
    30   1    -0.11  -0.17   0.34     0.03   0.03  -0.02     0.10   0.14  -0.28
    31   1     0.27  -0.03  -0.20    -0.04  -0.03   0.01    -0.23   0.01   0.16
    32   1     0.08  -0.03   0.11     0.01  -0.05   0.16    -0.01   0.00  -0.01
    33   1    -0.01  -0.07  -0.07     0.04  -0.01  -0.05     0.01   0.01   0.01
    34   1     0.01  -0.07  -0.07    -0.04  -0.01  -0.05     0.01  -0.01  -0.01
    35   1    -0.08  -0.03   0.11    -0.01  -0.05   0.16    -0.01  -0.00   0.01
    36   1     0.08   0.09  -0.06     0.24   0.35  -0.16    -0.02  -0.04   0.01
    37   1    -0.07  -0.02   0.09    -0.13  -0.10   0.35     0.00   0.01  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.2216               866.9085               867.4157
 Red. masses --      3.1238                 3.1664                 2.7772
 Frc consts  --      1.3810                 1.4020                 1.2312
 IR Inten    --     10.8397                 8.7066                 2.8453
 RamAct Fr= 1--      0.5222                 1.3033                 4.4884
  Dep-P Fr= 1--      0.7500                 0.7488                 0.2509
  Dep-U Fr= 1--      0.8571                 0.8564                 0.4011
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0531
 Beta2  Fr= 1--      0.0746                 0.1860                 0.3001
 AlphaG Fr= 1--      0.0000                 0.0006                -0.0174
 Gamma2 Fr= 1--      1.0409                 0.5968                 0.9900
 Delta2 Fr= 1--      1.2280                 0.6083                -0.2659
 Raman1 Fr= 1--       2.089                  5.213                 17.953
 ROA1   Fr= 1--     139.222                 76.757                 86.527
 CID1   Fr= 1--      66.653                 14.724                  4.820
 Raman2 Fr= 1--       0.895                  2.232                  3.601
 ROA2   Fr= 1--      15.158                  9.457                 25.886
 CID2   Fr= 1--      16.933                  4.237                  7.189
 Raman3 Fr= 1--       1.790                  4.464                  7.201
 ROA3   Fr= 1--     139.222                 76.757                 86.527
 CID3   Fr= 1--      77.762                 17.193                 12.016
 RC180  Fr= 1--       0.714                  0.713                 -0.198
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.02     0.15   0.02   0.12    -0.04  -0.01  -0.03
     2   6    -0.01   0.04  -0.02     0.15  -0.02  -0.12    -0.04   0.01   0.03
     3   7     0.04  -0.03   0.01    -0.11   0.06  -0.06     0.03  -0.01   0.02
     4  45    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.11  -0.07    -0.03  -0.09  -0.07     0.00   0.02   0.03
     6   6     0.15   0.06  -0.00     0.10   0.05   0.02     0.10   0.02  -0.10
     7   6    -0.03   0.16   0.03    -0.02   0.11   0.04    -0.00   0.09  -0.09
     8   7    -0.06  -0.06   0.05    -0.03  -0.03   0.02    -0.11  -0.10   0.10
     9   7    -0.03  -0.03   0.01    -0.11  -0.05   0.06     0.03   0.01  -0.02
    10   7     0.03  -0.12  -0.08    -0.02   0.08   0.06     0.00  -0.02  -0.04
    11   6    -0.16   0.06  -0.00     0.09  -0.04  -0.02     0.10  -0.02   0.10
    12   6     0.03   0.17   0.04    -0.02  -0.09  -0.04    -0.00  -0.09   0.09
    13   7     0.06  -0.06   0.05    -0.02   0.02  -0.01    -0.11   0.10  -0.10
    14   1     0.08  -0.03   0.02     0.09  -0.02  -0.01    -0.15  -0.07   0.11
    15   1     0.25  -0.09  -0.07     0.13  -0.03  -0.04     0.43  -0.16  -0.05
    16   1    -0.05  -0.02  -0.05    -0.02  -0.07  -0.06    -0.07   0.23   0.07
    17   1    -0.28   0.24   0.07    -0.24   0.20   0.05     0.09  -0.06   0.05
    18   1     0.06  -0.02  -0.05    -0.02   0.06   0.05    -0.07  -0.23  -0.07
    19   1     0.29   0.25   0.07    -0.22  -0.18  -0.04     0.09   0.07  -0.05
    20   1    -0.08  -0.03   0.02     0.09   0.02   0.01    -0.15   0.07  -0.11
    21   1    -0.26  -0.09  -0.08     0.10   0.02   0.03     0.43   0.16   0.05
    22   1     0.10  -0.18  -0.15    -0.05   0.11   0.08    -0.09   0.10  -0.03
    23   1     0.07  -0.07  -0.04    -0.03   0.05   0.05    -0.04   0.03  -0.04
    24   1     0.11  -0.19   0.09    -0.05   0.10  -0.04    -0.07   0.07  -0.21
    25   1     0.03  -0.09   0.04    -0.01   0.06  -0.00     0.01   0.03  -0.05
    26   1     0.02  -0.03   0.05    -0.10  -0.04  -0.02     0.03   0.00   0.01
    27   1    -0.00  -0.00   0.01    -0.22  -0.14   0.05     0.05   0.04  -0.02
    28   1    -0.10  -0.19   0.09    -0.06  -0.12   0.05    -0.07  -0.07   0.21
    29   1    -0.03  -0.08   0.03    -0.02  -0.06   0.01     0.01  -0.03   0.05
    30   1    -0.09  -0.17  -0.14    -0.06  -0.13  -0.09    -0.09  -0.10   0.03
    31   1    -0.06  -0.06  -0.04    -0.03  -0.06  -0.05    -0.04  -0.03   0.04
    32   1     0.07  -0.03   0.09    -0.01   0.06   0.05    -0.01  -0.02  -0.01
    33   1    -0.02  -0.05  -0.14     0.07   0.05   0.37    -0.01  -0.01  -0.09
    34   1     0.01  -0.04  -0.11     0.07  -0.04  -0.36    -0.01   0.00   0.08
    35   1    -0.07  -0.02   0.10    -0.01  -0.06  -0.06    -0.01   0.02   0.01
    36   1     0.02  -0.01   0.01    -0.22   0.14  -0.06     0.05  -0.04   0.02
    37   1    -0.01  -0.03   0.05    -0.11   0.04   0.02     0.03  -0.01  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.8980               870.1582               875.9344
 Red. masses --      2.9020                 2.5180                 2.4938
 Frc consts  --      1.2909                 1.1233                 1.1273
 IR Inten    --      1.7552                 0.4588                 1.2362
 RamAct Fr= 1--      5.4376                 3.0331                 0.3177
  Dep-P Fr= 1--      0.1258                 0.7480                 0.7500
  Dep-U Fr= 1--      0.2234                 0.8558                 0.8571
 Alpha2 Fr= 1--      0.0893                 0.0001                 0.0000
 Beta2  Fr= 1--      0.2025                 0.4326                 0.0454
 AlphaG Fr= 1--     -0.0035                -0.0000                 0.0000
 Gamma2 Fr= 1--     -1.1138                -1.4313                 0.2757
 Delta2 Fr= 1--     -1.7713                -0.7422                -0.0076
 Raman1 Fr= 1--      21.751                 12.132                  1.271
 ROA1   Fr= 1--    -163.603               -161.154                 26.220
 CID1   Fr= 1--      -7.522                -13.283                 20.632
 Raman2 Fr= 1--       2.430                  5.192                  0.545
 ROA2   Fr= 1--     -12.560                -28.413                  6.677
 CID2   Fr= 1--      -5.169                 -5.473                 12.260
 Raman3 Fr= 1--       4.859                 10.383                  1.089
 ROA3   Fr= 1--    -163.603               -161.154                 26.220
 CID3   Fr= 1--     -33.667                -15.521                 24.071
 RC180  Fr= 1--      -0.553                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.01   0.09    -0.01  -0.13   0.07    -0.00  -0.04   0.03
     2   6     0.11  -0.02  -0.08     0.00  -0.13   0.08    -0.00  -0.04   0.03
     3   7    -0.09   0.05  -0.03    -0.11   0.10  -0.07    -0.04   0.02  -0.04
     4  45     0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.01
     5   7     0.03   0.12   0.08    -0.01   0.01   0.00    -0.03  -0.08  -0.08
     6   6    -0.07  -0.04  -0.06     0.04   0.02  -0.04    -0.02   0.01   0.11
     7   6     0.03  -0.10  -0.08     0.00   0.04  -0.02    -0.01  -0.01   0.11
     8   7    -0.01   0.00   0.02    -0.04  -0.04   0.04     0.06   0.07  -0.09
     9   7    -0.08  -0.04   0.03     0.12   0.10  -0.07     0.04   0.02  -0.04
    10   7     0.03  -0.12  -0.09     0.01   0.02   0.00     0.03  -0.08  -0.08
    11   6    -0.08   0.04   0.06    -0.04   0.02  -0.04     0.02   0.01   0.11
    12   6     0.03   0.10   0.08    -0.00   0.04  -0.03     0.01  -0.01   0.11
    13   7    -0.01  -0.00  -0.01     0.04  -0.04   0.04    -0.06   0.07  -0.09
    14   1    -0.17  -0.02   0.05    -0.07  -0.06   0.04     0.24   0.05  -0.13
    15   1     0.03  -0.02   0.04     0.19  -0.05  -0.00    -0.32   0.14   0.02
    16   1    -0.00   0.14   0.09    -0.03   0.04   0.01     0.09  -0.22  -0.12
    17   1     0.30  -0.25  -0.04    -0.01   0.01   0.01    -0.25   0.17   0.01
    18   1     0.00  -0.14  -0.09     0.03   0.04   0.01    -0.09  -0.22  -0.12
    19   1     0.30   0.25   0.04    -0.00   0.01   0.01     0.25   0.17   0.01
    20   1    -0.17   0.01  -0.05     0.07  -0.06   0.04    -0.24   0.05  -0.13
    21   1     0.02   0.01  -0.04    -0.19  -0.05  -0.00     0.32   0.14   0.02
    22   1     0.03  -0.10  -0.15     0.04  -0.05   0.06    -0.03  -0.02  -0.06
    23   1     0.03  -0.03  -0.05    -0.00  -0.05  -0.03    -0.04  -0.01  -0.09
    24   1     0.05  -0.13  -0.02     0.03  -0.02   0.06    -0.04   0.01  -0.07
    25   1     0.02  -0.05  -0.01     0.02  -0.03   0.03    -0.04  -0.02  -0.10
    26   1    -0.09  -0.04   0.02    -0.01   0.09  -0.08     0.00   0.01   0.03
    27   1    -0.17  -0.06   0.02     0.01   0.10  -0.09    -0.02   0.10  -0.06
    28   1     0.04   0.13   0.02    -0.03  -0.02   0.06     0.04   0.01  -0.07
    29   1     0.02   0.05   0.01    -0.02  -0.03   0.03     0.04  -0.02  -0.10
    30   1     0.03   0.10   0.15    -0.04  -0.05   0.06     0.03  -0.02  -0.06
    31   1     0.03   0.02   0.05     0.00  -0.05  -0.03     0.04  -0.01  -0.09
    32   1    -0.05   0.05   0.02    -0.22   0.07  -0.29    -0.08   0.01  -0.05
    33   1     0.06   0.06   0.31     0.05   0.15   0.41     0.02   0.05   0.12
    34   1     0.06  -0.05  -0.28    -0.06   0.15   0.44    -0.02   0.05   0.13
    35   1    -0.03  -0.04  -0.04     0.22   0.07  -0.29     0.08   0.01  -0.05
    36   1    -0.17   0.07  -0.03     0.00   0.09  -0.08     0.02   0.09  -0.06
    37   1    -0.09   0.05  -0.02     0.02   0.08  -0.08    -0.00   0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    981.0490               982.9576               983.3173
 Red. masses --      2.2022                 2.2255                 2.2179
 Frc consts  --      1.2488                 1.2669                 1.2635
 IR Inten    --      9.7356                 1.1075                 0.0123
 RamAct Fr= 1--      0.7840                 4.5606                 4.7335
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1120                 0.6515                 0.6762
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0002
 Gamma2 Fr= 1--      0.2091                 0.2009                 0.8794
 Delta2 Fr= 1--     -0.3659                 0.5740                -1.4672
 Raman1 Fr= 1--       3.136                 18.242                 18.934
 ROA1   Fr= 1--       8.367                 37.651                 37.475
 CID1   Fr= 1--       2.668                  2.064                  1.979
 Raman2 Fr= 1--       1.344                  7.818                  8.114
 ROA2   Fr= 1--       7.947                  0.229                 32.844
 CID2   Fr= 1--       5.912                  0.029                  4.048
 Raman3 Fr= 1--       2.688                 15.636                 16.228
 ROA3   Fr= 1--       8.367                 37.651                 37.475
 CID3   Fr= 1--       3.112                  2.408                  2.309
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.00  -0.00    -0.20  -0.01  -0.00     0.00  -0.00   0.00
     2   6     0.06  -0.00  -0.00     0.20  -0.01   0.00     0.00   0.00  -0.00
     3   7    -0.03   0.01   0.00    -0.09   0.02  -0.01    -0.00  -0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   7    -0.03  -0.06  -0.02     0.01   0.02   0.00     0.04   0.06   0.02
     6   6     0.07   0.12  -0.00    -0.02  -0.04   0.01    -0.08  -0.13  -0.00
     7   6    -0.07  -0.12   0.01     0.01   0.03  -0.01     0.07   0.13  -0.00
     8   7     0.03   0.06  -0.02    -0.01  -0.02   0.01    -0.03  -0.06   0.02
     9   7     0.02   0.01   0.00     0.09   0.02  -0.01    -0.00   0.00  -0.00
    10   7     0.03  -0.06  -0.02    -0.01   0.02   0.00     0.04  -0.06  -0.02
    11   6    -0.07   0.12   0.00     0.02  -0.04   0.01    -0.08   0.12   0.00
    12   6     0.07  -0.12   0.01    -0.01   0.04  -0.01     0.07  -0.13   0.00
    13   7    -0.03   0.06  -0.02     0.01  -0.02   0.01    -0.03   0.06  -0.02
    14   1    -0.16   0.01   0.17     0.07   0.03  -0.05     0.15  -0.01  -0.17
    15   1     0.25   0.12   0.14    -0.10  -0.04  -0.06    -0.26  -0.14  -0.15
    16   1    -0.09   0.12   0.17     0.03   0.01  -0.04     0.08  -0.14  -0.17
    17   1     0.02  -0.26   0.14     0.02   0.05  -0.03    -0.02   0.29  -0.16
    18   1     0.09   0.12   0.17    -0.03   0.01  -0.04     0.08   0.13   0.17
    19   1    -0.02  -0.27   0.14    -0.02   0.05  -0.03    -0.02  -0.29   0.16
    20   1     0.16   0.01   0.18    -0.07   0.03  -0.05     0.14   0.01   0.17
    21   1    -0.25   0.12   0.14     0.10  -0.04  -0.06    -0.25   0.13   0.15
    22   1     0.12  -0.16  -0.04    -0.02   0.03  -0.01     0.12  -0.16  -0.03
    23   1     0.09  -0.09  -0.00    -0.05   0.07   0.01     0.10  -0.10  -0.01
    24   1    -0.08   0.19  -0.05     0.03  -0.08   0.02    -0.08   0.19  -0.03
    25   1    -0.02   0.11  -0.00    -0.01  -0.00   0.00    -0.04   0.14  -0.01
    26   1     0.06   0.01   0.00     0.19   0.03   0.05     0.00   0.00  -0.00
    27   1     0.07   0.01   0.01     0.26   0.06   0.01     0.01  -0.01   0.00
    28   1     0.08   0.19  -0.05    -0.03  -0.08   0.02    -0.08  -0.19   0.03
    29   1     0.02   0.11  -0.00     0.01  -0.00   0.00    -0.04  -0.14   0.01
    30   1    -0.12  -0.16  -0.04     0.01   0.02  -0.01     0.12   0.16   0.03
    31   1    -0.09  -0.09  -0.00     0.05   0.07   0.01     0.10   0.10   0.01
    32   1     0.03  -0.04   0.07     0.10  -0.15   0.25    -0.00  -0.00   0.00
    33   1    -0.10  -0.08  -0.04    -0.33  -0.27  -0.12    -0.00  -0.00   0.01
    34   1     0.10  -0.08  -0.04     0.33  -0.27  -0.12    -0.00   0.00  -0.01
    35   1    -0.03  -0.04   0.07    -0.10  -0.15   0.25    -0.00   0.00  -0.00
    36   1    -0.07   0.01   0.01    -0.26   0.06   0.01     0.01   0.01  -0.00
    37   1    -0.06   0.01   0.00    -0.19   0.03   0.04     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    999.5208              1001.8754              1006.9001
 Red. masses --      1.2517                 1.2631                 1.2633
 Frc consts  --      0.7368                 0.7470                 0.7546
 IR Inten    --      2.5659                 8.2692                 9.5285
 RamAct Fr= 1--      1.1771                 0.1289                 0.3566
  Dep-P Fr= 1--      0.0754                 0.7493                 0.4735
  Dep-U Fr= 1--      0.1402                 0.8567                 0.6427
 Alpha2 Fr= 1--      0.0219                 0.0000                 0.0020
 Beta2  Fr= 1--      0.0275                 0.0184                 0.0382
 AlphaG Fr= 1--     -0.0205                -0.0000                 0.0610
 Gamma2 Fr= 1--      1.0130                 0.8805                -0.8368
 Delta2 Fr= 1--      0.1133                -0.1201                -0.0056
 Raman1 Fr= 1--       4.708                  0.515                  1.427
 ROA1   Fr= 1--     100.873                 80.686                -80.512
 CID1   Fr= 1--      21.424                156.538                -56.439
 Raman2 Fr= 1--       0.330                  0.221                  0.458
 ROA2   Fr= 1--      23.405                 22.093                -20.039
 CID2   Fr= 1--      70.923                100.063                -43.716
 Raman3 Fr= 1--       0.660                  0.442                  0.917
 ROA3   Fr= 1--     100.873                 80.686                -80.512
 CID3   Fr= 1--     152.833                182.724                -87.822
 RC180  Fr= 1--      -0.720                  0.713                  0.285
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07   0.04     0.02  -0.00   0.00    -0.01   0.05   0.03
     2   6    -0.02  -0.07  -0.04    -0.02  -0.00   0.00    -0.01  -0.05  -0.03
     3   7    -0.00   0.02   0.00     0.01  -0.00  -0.01    -0.01   0.02   0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00  -0.00   0.01    -0.01   0.00  -0.01    -0.01   0.01  -0.01
     6   6    -0.02   0.03  -0.03     0.04  -0.04   0.04     0.03  -0.03   0.04
     7   6     0.04  -0.01   0.02    -0.06   0.00  -0.05    -0.04   0.01  -0.04
     8   7    -0.01  -0.00  -0.00     0.00  -0.00   0.02     0.01  -0.00   0.01
     9   7    -0.00  -0.02  -0.00    -0.01  -0.00  -0.01    -0.01  -0.02  -0.00
    10   7     0.00   0.00  -0.01     0.01   0.00  -0.01    -0.01  -0.01   0.01
    11   6    -0.02  -0.03   0.03    -0.04  -0.04   0.04     0.03   0.03  -0.04
    12   6     0.04   0.01  -0.02     0.06   0.00  -0.05    -0.04  -0.01   0.04
    13   7    -0.01   0.00   0.00    -0.00  -0.00   0.02     0.01   0.00  -0.01
    14   1    -0.13  -0.09   0.03     0.20   0.17  -0.01     0.17   0.14  -0.02
    15   1     0.12  -0.00   0.05    -0.18  -0.00  -0.09    -0.17   0.01  -0.07
    16   1    -0.02  -0.15  -0.01     0.04   0.27   0.02     0.04   0.22   0.00
    17   1    -0.05   0.09  -0.06     0.10  -0.18   0.10     0.08  -0.13   0.07
    18   1    -0.02   0.14   0.01    -0.04   0.27   0.03     0.05  -0.22  -0.01
    19   1    -0.05  -0.09   0.06    -0.10  -0.18   0.10     0.08   0.13  -0.07
    20   1    -0.13   0.09  -0.02    -0.20   0.17  -0.01     0.17  -0.14   0.02
    21   1     0.12   0.00  -0.05     0.18   0.00  -0.09    -0.17  -0.01   0.07
    22   1     0.08  -0.10  -0.02     0.13  -0.15  -0.03    -0.11   0.12   0.02
    23   1    -0.09   0.13  -0.00    -0.17   0.23  -0.01     0.13  -0.18   0.01
    24   1     0.04  -0.11   0.02     0.07  -0.18   0.04    -0.05   0.15  -0.02
    25   1    -0.08   0.15  -0.01    -0.12   0.27   0.00     0.09  -0.22  -0.01
    26   1     0.32   0.01   0.03     0.00  -0.00   0.01     0.24   0.00   0.04
    27   1    -0.22  -0.06  -0.03    -0.02   0.01  -0.01    -0.15  -0.03  -0.02
    28   1     0.04   0.12  -0.03    -0.07  -0.18   0.04    -0.05  -0.15   0.02
    29   1    -0.08  -0.16   0.01     0.12   0.27   0.00     0.09   0.22   0.01
    30   1     0.08   0.10   0.02    -0.13  -0.15  -0.03    -0.11  -0.12  -0.02
    31   1    -0.09  -0.14   0.00     0.17   0.23  -0.01     0.13   0.18  -0.01
    32   1     0.30   0.02   0.11    -0.01   0.01  -0.02     0.21   0.01   0.08
    33   1    -0.11  -0.16  -0.15     0.03   0.02   0.03    -0.08  -0.13  -0.10
    34   1    -0.11   0.16   0.15    -0.03   0.03   0.03    -0.08   0.12   0.10
    35   1     0.30  -0.02  -0.11     0.01   0.01  -0.03     0.21  -0.01  -0.08
    36   1    -0.23   0.06   0.03     0.01   0.01  -0.01    -0.15   0.03   0.02
    37   1     0.32  -0.01  -0.03     0.01  -0.00   0.01     0.24  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1048.9813              1049.0063              1049.9742
 Red. masses --      3.1900                 3.1931                 3.1436
 Frc consts  --      2.0681                 2.0702                 2.0419
 IR Inten    --     70.0807                49.1818                18.0325
 RamAct Fr= 1--      0.6269                 2.1216                 1.4788
  Dep-P Fr= 1--      0.7405                 0.5323                 0.1289
  Dep-U Fr= 1--      0.8509                 0.6948                 0.2284
 Alpha2 Fr= 1--      0.0001                 0.0089                 0.0241
 Beta2  Fr= 1--      0.0889                 0.2457                 0.0563
 AlphaG Fr= 1--      0.0005                 0.0484                -0.0237
 Gamma2 Fr= 1--     -1.7700                -1.1879                 1.1924
 Delta2 Fr= 1--     -1.9498                -0.4405                 0.4994
 Raman1 Fr= 1--       2.507                  8.487                  5.915
 ROA1   Fr= 1--    -232.317               -128.136                130.453
 CID1   Fr= 1--     -92.649                -15.099                 22.054
 Raman2 Fr= 1--       1.067                  2.948                  0.675
 ROA2   Fr= 1--     -26.882                -24.986                 24.623
 CID2   Fr= 1--     -25.198                 -8.475                 36.455
 Raman3 Fr= 1--       2.134                  5.896                  1.351
 ROA3   Fr= 1--    -232.317               -128.136                130.453
 CID3   Fr= 1--    -108.881                -21.731                 96.572
 RC180  Fr= 1--       0.702                  0.390                 -0.543
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.04   0.04  -0.09     0.09   0.10  -0.20
     2   6     0.00  -0.00   0.01     0.04  -0.04   0.09     0.09  -0.10   0.20
     3   7    -0.00   0.00  -0.00    -0.06   0.02  -0.01    -0.12   0.06  -0.02
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7    -0.06  -0.09  -0.05    -0.04  -0.07  -0.04     0.02   0.03   0.02
     6   6    -0.07   0.13   0.14    -0.05   0.10   0.10     0.03  -0.05  -0.05
     7   6     0.15   0.00  -0.14     0.11   0.01  -0.10    -0.05  -0.00   0.05
     8   7    -0.05  -0.09   0.06    -0.04  -0.07   0.04     0.02   0.03  -0.02
     9   7    -0.01  -0.00  -0.00    -0.06  -0.02   0.01    -0.12  -0.06   0.02
    10   7     0.05  -0.07  -0.04    -0.05   0.08   0.05     0.02  -0.03  -0.02
    11   6     0.06   0.11   0.11    -0.06  -0.12  -0.13     0.03   0.05   0.05
    12   6    -0.12   0.00  -0.12     0.14  -0.01   0.13    -0.06   0.00  -0.05
    13   7     0.04  -0.08   0.05    -0.04   0.09  -0.05     0.02  -0.03   0.02
    14   1    -0.05   0.23   0.16    -0.04   0.16   0.11     0.02  -0.09  -0.06
    15   1    -0.19   0.25   0.16    -0.15   0.19   0.12     0.08  -0.10  -0.07
    16   1     0.21   0.06  -0.16     0.16   0.05  -0.12    -0.09  -0.03   0.06
    17   1     0.33  -0.04  -0.17     0.24  -0.03  -0.13    -0.12   0.02   0.06
    18   1    -0.17   0.05  -0.13     0.20  -0.06   0.15    -0.09   0.03  -0.06
    19   1    -0.27  -0.04  -0.15     0.30   0.04   0.16    -0.13  -0.02  -0.07
    20   1     0.04   0.20   0.14    -0.05  -0.20  -0.14     0.02   0.09   0.06
    21   1     0.16   0.21   0.14    -0.19  -0.24  -0.15     0.08   0.11   0.07
    22   1    -0.07   0.08  -0.04     0.09  -0.10   0.05    -0.03   0.03  -0.02
    23   1    -0.01  -0.02  -0.05    -0.00   0.04   0.06     0.01  -0.02  -0.02
    24   1    -0.04   0.11   0.04     0.04  -0.12  -0.04    -0.01   0.03   0.02
    25   1     0.04  -0.03   0.06    -0.03   0.02  -0.06     0.01  -0.01   0.02
    26   1    -0.01  -0.01   0.01    -0.05  -0.03   0.02    -0.04  -0.06   0.05
    27   1     0.02  -0.00   0.00     0.10  -0.02   0.03     0.15  -0.04   0.05
    28   1     0.05   0.14   0.05     0.03   0.10   0.04    -0.01  -0.03  -0.02
    29   1    -0.04  -0.03   0.07    -0.02  -0.01   0.04     0.01   0.01  -0.02
    30   1     0.09   0.10  -0.05     0.07   0.08  -0.04    -0.03  -0.03   0.02
    31   1     0.01  -0.03  -0.06    -0.00  -0.03  -0.05     0.01   0.02   0.02
    32   1    -0.00   0.00  -0.01     0.06   0.05  -0.12     0.19   0.11  -0.24
    33   1     0.01   0.01  -0.02     0.08   0.05  -0.16     0.15   0.07  -0.41
    34   1     0.00  -0.00   0.01     0.08  -0.05   0.16     0.15  -0.07   0.41
    35   1     0.02  -0.01   0.02     0.06  -0.05   0.12     0.19  -0.11   0.24
    36   1    -0.00   0.00  -0.00     0.10   0.02  -0.03     0.15   0.04  -0.05
    37   1     0.00  -0.00   0.00    -0.05   0.03  -0.02    -0.04   0.06  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1114.6536              1114.7610              1122.3411
 Red. masses --      1.0219                 1.0233                 1.0312
 Frc consts  --      0.7481                 0.7492                 0.7653
 IR Inten    --      0.9855                 0.5359                 0.1790
 RamAct Fr= 1--      0.7866                 0.8272                 0.4187
  Dep-P Fr= 1--      0.7484                 0.7497                 0.7500
  Dep-U Fr= 1--      0.8561                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1122                 0.1181                 0.0598
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.6106                -0.3779                 0.0789
 Delta2 Fr= 1--      0.1657                -0.0786                -0.0731
 Raman1 Fr= 1--       3.146                  3.309                  1.675
 ROA1   Fr= 1--      63.920                -38.793                  5.234
 CID1   Fr= 1--      20.315                -11.724                  3.125
 Raman2 Fr= 1--       1.347                  1.418                  0.718
 ROA2   Fr= 1--      13.328                 -8.440                  2.479
 CID2   Fr= 1--       9.896                 -5.953                  3.454
 Raman3 Fr= 1--       2.694                  2.836                  1.435
 ROA3   Fr= 1--      63.920                -38.793                  5.234
 CID3   Fr= 1--      23.729                -13.681                  3.646
 RC180  Fr= 1--       0.712                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.00
     3   7    -0.01   0.00  -0.01     0.01  -0.01   0.01    -0.02   0.00   0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.01   0.01
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.01  -0.00
     7   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     8   7     0.01   0.01  -0.01     0.00  -0.00   0.00    -0.01  -0.00   0.01
     9   7     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.02   0.00   0.00
    10   7    -0.00   0.01   0.00    -0.00   0.01   0.00     0.01   0.01   0.01
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00  -0.01  -0.00
    13   7     0.01  -0.00   0.00     0.01  -0.01   0.01     0.01  -0.00   0.01
    14   1    -0.05   0.26   0.18     0.00  -0.01  -0.01     0.04  -0.20  -0.14
    15   1     0.01  -0.15  -0.13    -0.00   0.02   0.01     0.01   0.09   0.09
    16   1    -0.25  -0.07   0.19     0.02   0.02  -0.01     0.18   0.06  -0.14
    17   1     0.12   0.05  -0.12     0.00  -0.00  -0.00    -0.07  -0.06   0.09
    18   1    -0.14   0.04  -0.11    -0.21   0.07  -0.16    -0.18   0.06  -0.14
    19   1     0.08  -0.03   0.08     0.09  -0.04   0.09     0.07  -0.06   0.09
    20   1    -0.03  -0.16  -0.11    -0.04  -0.21  -0.15    -0.04  -0.20  -0.14
    21   1     0.01   0.08   0.07     0.01   0.12   0.11    -0.01   0.09   0.09
    22   1    -0.06   0.07   0.05    -0.09   0.10   0.06    -0.10   0.12   0.07
    23   1     0.12  -0.20  -0.02     0.18  -0.27  -0.02     0.13  -0.22  -0.02
    24   1     0.03  -0.08   0.05     0.05  -0.15   0.07     0.05  -0.13   0.07
    25   1    -0.11   0.20  -0.02    -0.14   0.26  -0.03    -0.13   0.23  -0.03
    26   1    -0.16  -0.02   0.00     0.34   0.03  -0.00    -0.28  -0.02  -0.02
    27   1     0.11   0.05   0.00    -0.18  -0.10   0.00     0.08   0.06   0.00
    28   1     0.06   0.17  -0.09    -0.01  -0.03   0.01    -0.04  -0.13   0.07
    29   1    -0.17  -0.33   0.04     0.00   0.01   0.00     0.13   0.23  -0.03
    30   1    -0.11  -0.12  -0.08     0.01   0.01   0.00     0.10   0.12   0.07
    31   1     0.21   0.33   0.02    -0.02  -0.02  -0.00    -0.13  -0.22  -0.02
    32   1    -0.08  -0.05   0.10     0.19   0.11  -0.22    -0.14  -0.08   0.17
    33   1     0.04   0.03  -0.03    -0.11  -0.08   0.10     0.08   0.06  -0.10
    34   1    -0.06   0.04  -0.06     0.10  -0.08   0.09    -0.08   0.06  -0.10
    35   1     0.09  -0.05   0.10    -0.19   0.10  -0.22     0.14  -0.08   0.17
    36   1    -0.07   0.04  -0.00     0.20  -0.10  -0.00    -0.08   0.05   0.00
    37   1     0.16  -0.02   0.00    -0.34   0.03  -0.01     0.28  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1169.7392              1172.2164              1187.5741
 Red. masses --      1.0756                 1.0709                 1.0598
 Frc consts  --      0.8671                 0.8670                 0.8807
 IR Inten    --     75.6774                66.4289                 1.6260
 RamAct Fr= 1--      9.1379                 9.3845                10.2851
  Dep-P Fr= 1--      0.7500                 0.7359                 0.3190
  Dep-U Fr= 1--      0.8571                 0.8479                 0.4837
 Alpha2 Fr= 1--      0.0000                 0.0023                 0.0996
 Beta2  Fr= 1--      1.3054                 1.3261                 0.8292
 AlphaG Fr= 1--      0.0000                 0.0352                 0.1266
 Gamma2 Fr= 1--     -3.7336                 0.0974                -1.8188
 Delta2 Fr= 1--      2.7479                 4.6364                -5.8605
 Raman1 Fr= 1--      36.552                 37.538                 41.140
 ROA1   Fr= 1--    -270.491                157.710               -362.143
 CID1   Fr= 1--      -7.400                  4.201                 -8.803
 Raman2 Fr= 1--      15.665                 15.914                  9.950
 ROA2   Fr= 1--    -111.590                -34.754                  3.232
 CID2   Fr= 1--      -7.124                 -2.184                  0.325
 Raman3 Fr= 1--      31.329                 31.828                 19.900
 ROA3   Fr= 1--    -270.491                157.710               -362.143
 CID3   Fr= 1--      -8.634                  4.955                -18.198
 RC180  Fr= 1--       0.714                  0.696                 -0.033
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   7     0.00  -0.00  -0.00    -0.03   0.00   0.02    -0.03   0.01   0.01
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.02   0.00    -0.02  -0.01   0.00     0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
     8   7    -0.00  -0.04  -0.00    -0.00  -0.02   0.00    -0.00   0.03  -0.00
     9   7    -0.00  -0.00  -0.00    -0.03  -0.00  -0.02    -0.03  -0.01  -0.01
    10   7     0.03  -0.02   0.00    -0.02   0.01  -0.00     0.01  -0.01  -0.01
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    13   7     0.00  -0.04  -0.00    -0.00   0.02  -0.00     0.00  -0.03   0.00
    14   1     0.01   0.02   0.00    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    15   1     0.06  -0.22  -0.18     0.03  -0.14  -0.12    -0.01   0.17   0.15
    16   1     0.02   0.01  -0.01     0.03   0.01  -0.02    -0.01  -0.02   0.01
    17   1    -0.22  -0.06   0.19    -0.15  -0.04   0.13     0.17   0.06  -0.16
    18   1    -0.02   0.01  -0.01     0.03  -0.01   0.02    -0.01   0.02  -0.01
    19   1     0.21  -0.06   0.18    -0.16   0.04  -0.13     0.17  -0.06   0.16
    20   1    -0.01   0.02   0.00    -0.00   0.00   0.00    -0.02   0.03   0.01
    21   1    -0.06  -0.22  -0.17     0.03   0.14   0.12    -0.01  -0.17  -0.15
    22   1    -0.20   0.28  -0.00     0.14  -0.20   0.01    -0.14   0.18   0.01
    23   1    -0.16   0.11  -0.04     0.11  -0.07   0.03    -0.10   0.07  -0.03
    24   1    -0.14   0.31   0.01     0.09  -0.21   0.01    -0.11   0.26  -0.01
    25   1    -0.02   0.20   0.03     0.02  -0.15  -0.03    -0.01   0.14   0.03
    26   1     0.04   0.00   0.01     0.20  -0.00   0.10     0.18  -0.00   0.08
    27   1     0.04  -0.00   0.00     0.35   0.01   0.04     0.32   0.01   0.04
    28   1     0.15   0.32   0.01     0.09   0.20  -0.01    -0.11  -0.26   0.01
    29   1     0.02   0.21   0.04     0.02   0.15   0.02    -0.01  -0.14  -0.03
    30   1     0.20   0.28  -0.00     0.13   0.19  -0.01    -0.13  -0.18  -0.01
    31   1     0.16   0.12  -0.04     0.10   0.07  -0.02    -0.10  -0.07   0.03
    32   1     0.00   0.01  -0.02     0.02   0.01  -0.02     0.01   0.01  -0.02
    33   1    -0.01  -0.02   0.02    -0.17  -0.12   0.23    -0.16  -0.12   0.20
    34   1     0.01  -0.01   0.01    -0.17   0.12  -0.23    -0.16   0.12  -0.20
    35   1    -0.00   0.01  -0.02     0.02  -0.01   0.02     0.01  -0.01   0.02
    36   1    -0.03  -0.01   0.00     0.35  -0.01  -0.04     0.32  -0.01  -0.04
    37   1    -0.03   0.00   0.00     0.20   0.00  -0.10     0.18   0.00  -0.08
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1220.9687              1225.8555              1244.6043
 Red. masses --      1.2511                 1.2539                 1.2432
 Frc consts  --      1.0989                 1.1102                 1.1346
 IR Inten    --     10.0385                 4.2227                23.5377
 RamAct Fr= 1--      7.1381                 6.5862                 1.0184
  Dep-P Fr= 1--      0.7477                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8556                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0000
 Beta2  Fr= 1--      1.0179                 0.9409                 0.1455
 AlphaG Fr= 1--     -0.0007                 0.0000                 0.0000
 Gamma2 Fr= 1--      5.3018                -0.9871                -0.4363
 Delta2 Fr= 1--      0.6380                -0.0335                -0.1611
 Raman1 Fr= 1--      28.552                 26.345                  4.074
 ROA1   Fr= 1--     529.384                -95.834                -47.035
 CID1   Fr= 1--      18.541                 -3.638                -11.546
 Raman2 Fr= 1--      12.215                 11.291                  1.746
 ROA2   Fr= 1--     122.139                -23.423                 -9.182
 CID2   Fr= 1--       9.999                 -2.075                 -5.259
 Raman3 Fr= 1--      24.431                 22.581                  3.492
 ROA3   Fr= 1--     529.384                -95.834                -47.035
 CID3   Fr= 1--      21.669                 -4.244                -13.470
 RC180  Fr= 1--       0.711                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.04  -0.00   0.02    -0.03   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.04  -0.00   0.02     0.03   0.00  -0.01
     3   7    -0.00   0.00   0.00     0.05  -0.00  -0.03    -0.04  -0.00   0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.05   0.03  -0.01    -0.03  -0.02   0.01    -0.04  -0.02   0.00
     6   6    -0.03  -0.02   0.01     0.01   0.02  -0.01     0.02   0.02   0.00
     7   6     0.01   0.04   0.01    -0.00  -0.03   0.00    -0.00  -0.03  -0.00
     8   7    -0.00  -0.05  -0.01    -0.00   0.04   0.00    -0.00   0.04   0.00
     9   7    -0.00  -0.00  -0.00    -0.05  -0.00  -0.03     0.04  -0.00   0.02
    10   7     0.05  -0.03   0.01     0.03  -0.02   0.01     0.04  -0.02   0.00
    11   6    -0.03   0.02  -0.01    -0.01   0.02  -0.01    -0.02   0.02   0.00
    12   6     0.01  -0.04  -0.01     0.00  -0.03   0.00     0.00  -0.03  -0.00
    13   7    -0.00   0.05   0.01     0.00   0.04   0.00     0.00   0.04   0.00
    14   1    -0.00   0.03   0.00    -0.02  -0.03  -0.01     0.01   0.05   0.04
    15   1    -0.08   0.08   0.08     0.07  -0.02  -0.01     0.08  -0.10  -0.08
    16   1    -0.03  -0.02   0.01     0.03  -0.00  -0.01    -0.03  -0.02   0.04
    17   1    -0.09   0.06   0.04     0.07  -0.01  -0.06     0.09  -0.03  -0.06
    18   1    -0.03   0.02  -0.01    -0.03  -0.00  -0.01     0.03  -0.02   0.04
    19   1    -0.09  -0.06  -0.04    -0.07  -0.01  -0.06    -0.10  -0.03  -0.06
    20   1    -0.00  -0.03  -0.00     0.02  -0.03  -0.01    -0.01   0.05   0.04
    21   1    -0.07  -0.08  -0.08    -0.08  -0.02  -0.01    -0.08  -0.10  -0.08
    22   1    -0.26   0.36   0.01    -0.15   0.22  -0.02    -0.19   0.27   0.02
    23   1    -0.17   0.08  -0.06    -0.11   0.06  -0.02    -0.15   0.08  -0.06
    24   1     0.18  -0.38  -0.00     0.13  -0.28   0.03     0.12  -0.26   0.02
    25   1    -0.02  -0.18  -0.04    -0.02  -0.11  -0.04    -0.01  -0.16  -0.05
    26   1     0.02  -0.00   0.02     0.18  -0.01   0.14    -0.14   0.00  -0.10
    27   1     0.02  -0.01   0.00     0.45   0.04   0.03    -0.39  -0.02  -0.04
    28   1     0.18   0.39   0.00    -0.12  -0.27   0.03    -0.12  -0.26   0.02
    29   1    -0.02   0.18   0.04     0.02  -0.10  -0.04     0.01  -0.16  -0.05
    30   1    -0.26  -0.37  -0.01     0.14   0.21  -0.02     0.19   0.26   0.02
    31   1    -0.18  -0.08   0.06     0.11   0.06  -0.02     0.15   0.08  -0.05
    32   1     0.01   0.00  -0.01    -0.01   0.01   0.01     0.03  -0.00  -0.02
    33   1    -0.01   0.00   0.02    -0.02  -0.02   0.14     0.01   0.02  -0.10
    34   1    -0.01  -0.00  -0.03     0.02  -0.02   0.14    -0.01   0.02  -0.10
    35   1     0.01  -0.00   0.01     0.01   0.01   0.01    -0.03  -0.00  -0.02
    36   1     0.02   0.01  -0.00    -0.45   0.04   0.03     0.39  -0.01  -0.04
    37   1     0.03   0.00  -0.02    -0.18  -0.01   0.14     0.14   0.00  -0.10
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1292.2763              1292.8694              1298.2383
 Red. masses --      1.3918                 1.3945                 1.3675
 Frc consts  --      1.3694                 1.3734                 1.3580
 IR Inten    --      1.0600                 0.2030                 0.5098
 RamAct Fr= 1--      0.4232                 6.3403                 4.5141
  Dep-P Fr= 1--      0.7465                 0.1038                 0.4887
  Dep-U Fr= 1--      0.8549                 0.1882                 0.6566
 Alpha2 Fr= 1--      0.0000                 0.1100                 0.0235
 Beta2  Fr= 1--      0.0603                 0.1988                 0.4940
 AlphaG Fr= 1--      0.0000                 0.0159                -0.0134
 Gamma2 Fr= 1--      0.1742                -1.0458                -0.3888
 Delta2 Fr= 1--     -0.1389                -0.7756                 0.5179
 Raman1 Fr= 1--       1.693                 25.361                 18.056
 ROA1   Fr= 1--      12.283               -125.213                -20.751
 CID1   Fr= 1--       7.255                 -4.937                 -1.149
 Raman2 Fr= 1--       0.724                  2.386                  5.928
 ROA2   Fr= 1--       5.293                -18.893                -13.474
 CID2   Fr= 1--       7.315                 -7.919                 -2.273
 Raman3 Fr= 1--       1.447                  4.772                 11.855
 ROA3   Fr= 1--      12.283               -125.213                -20.751
 CID3   Fr= 1--       8.487                -26.240                 -1.750
 RC180  Fr= 1--       0.710                 -0.624                  0.313
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.10  -0.04    -0.01   0.05   0.01
     2   6     0.00   0.00  -0.00     0.01   0.10   0.04    -0.01  -0.05  -0.01
     3   7    -0.01  -0.00   0.00    -0.02  -0.03  -0.02     0.02   0.02   0.01
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.02   0.02    -0.01   0.01  -0.01    -0.01   0.02  -0.01
     6   6    -0.05   0.03  -0.06     0.03  -0.02   0.03     0.04  -0.03   0.05
     7   6     0.05  -0.02   0.06    -0.03   0.01  -0.03    -0.05   0.03  -0.05
     8   7    -0.03  -0.01  -0.02     0.01   0.00   0.01     0.02  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.02   0.03   0.02     0.02  -0.02  -0.01
    10   7    -0.02  -0.02   0.02    -0.01  -0.01   0.01    -0.01  -0.02   0.01
    11   6     0.05   0.03  -0.06     0.02   0.02  -0.03     0.04   0.03  -0.05
    12   6    -0.05  -0.02   0.06    -0.03  -0.01   0.03    -0.05  -0.03   0.05
    13   7     0.03  -0.01  -0.02     0.01  -0.00  -0.01     0.02   0.00  -0.01
    14   1    -0.23   0.09   0.14     0.10  -0.04  -0.06     0.20  -0.12  -0.14
    15   1     0.08   0.01   0.02    -0.05   0.01  -0.00    -0.09   0.04   0.02
    16   1     0.18  -0.15  -0.13    -0.08   0.09   0.06    -0.19   0.12   0.13
    17   1    -0.04   0.09  -0.02     0.02  -0.03  -0.01     0.06  -0.06  -0.00
    18   1    -0.18  -0.16  -0.13    -0.08  -0.08  -0.06    -0.19  -0.12  -0.13
    19   1     0.04   0.09  -0.02     0.02   0.02   0.01     0.06   0.06   0.00
    20   1     0.23   0.09   0.14     0.10   0.04   0.05     0.20   0.12   0.15
    21   1    -0.08   0.01   0.02    -0.04  -0.01   0.00    -0.09  -0.04  -0.02
    22   1     0.13  -0.16  -0.10     0.05  -0.06  -0.05     0.09  -0.11  -0.09
    23   1    -0.15   0.28   0.07    -0.07   0.13   0.03    -0.13   0.24   0.05
    24   1     0.05  -0.14   0.11     0.02  -0.06   0.05     0.06  -0.16   0.10
    25   1    -0.17   0.30  -0.07    -0.07   0.13  -0.03    -0.14   0.23  -0.06
    26   1    -0.02   0.00  -0.02     0.39   0.08  -0.04    -0.23  -0.05   0.02
    27   1    -0.05  -0.00  -0.01    -0.23  -0.14   0.01     0.13   0.08  -0.01
    28   1    -0.05  -0.14   0.11     0.02   0.07  -0.06     0.06   0.16  -0.10
    29   1     0.17   0.29  -0.07    -0.08  -0.14   0.04    -0.14  -0.22   0.06
    30   1    -0.12  -0.16  -0.10     0.05   0.07   0.05     0.09   0.11   0.09
    31   1     0.15   0.28   0.07    -0.07  -0.14  -0.03    -0.13  -0.24  -0.05
    32   1     0.00  -0.00  -0.00    -0.03   0.06  -0.36     0.05  -0.01   0.13
    33   1     0.01   0.01  -0.01     0.04   0.04   0.11    -0.08  -0.06   0.02
    34   1    -0.00   0.01  -0.01     0.04  -0.04  -0.11    -0.08   0.06  -0.02
    35   1    -0.00  -0.00   0.01    -0.03  -0.06   0.36     0.05   0.01  -0.13
    36   1     0.05   0.00  -0.01    -0.23   0.14  -0.02     0.13  -0.08   0.01
    37   1     0.03  -0.00  -0.01     0.39  -0.08   0.05    -0.23   0.05  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.0734              1332.4054              1341.4749
 Red. masses --      1.1833                 1.1875                 1.1773
 Frc consts  --      1.2352                 1.2421                 1.2482
 IR Inten    --     26.0411                24.1301                 0.1840
 RamAct Fr= 1--      0.9839                 3.5459                 3.1227
  Dep-P Fr= 1--      0.7500                 0.7298                 0.1736
  Dep-U Fr= 1--      0.8571                 0.8438                 0.2959
 Alpha2 Fr= 1--      0.0000                 0.0012                 0.0454
 Beta2  Fr= 1--      0.1406                 0.4987                 0.1540
 AlphaG Fr= 1--      0.0000                 0.0139                -0.0368
 Gamma2 Fr= 1--      3.9809                -0.1907                -0.4437
 Delta2 Fr= 1--      1.9215                -1.1775                -0.0884
 Raman1 Fr= 1--       3.935                 14.184                 12.491
 ROA1   Fr= 1--     443.654                -55.992                -45.418
 CID1   Fr= 1--     112.732                 -3.948                 -3.636
 Raman2 Fr= 1--       1.687                  5.984                  1.848
 ROA2   Fr= 1--      80.169                  4.842                 -9.941
 CID2   Fr= 1--      47.533                  0.809                 -5.379
 Raman3 Fr= 1--       3.373                 11.968                  3.696
 ROA3   Fr= 1--     443.654                -55.992                -45.418
 CID3   Fr= 1--     131.522                 -4.678                -12.288
 RC180  Fr= 1--       0.714                  0.688                 -0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.01   0.05    -0.01  -0.00  -0.02
     2   6     0.00   0.00   0.00     0.01   0.01  -0.05    -0.01   0.00   0.02
     3   7    -0.00  -0.00   0.00    -0.05  -0.03   0.02     0.02   0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.02  -0.03   0.03    -0.01  -0.02   0.02    -0.02  -0.03   0.03
     6   6     0.03  -0.01  -0.02     0.02  -0.01  -0.01     0.02  -0.00  -0.02
     7   6    -0.02   0.02   0.02    -0.02   0.01   0.00    -0.01   0.02   0.02
     8   7    -0.02  -0.04  -0.03    -0.00  -0.02  -0.01    -0.02  -0.03  -0.02
     9   7     0.01  -0.00   0.00    -0.05   0.03  -0.02     0.02  -0.01   0.01
    10   7     0.02  -0.03   0.03    -0.01   0.01  -0.02    -0.02   0.03  -0.03
    11   6    -0.03  -0.01  -0.02     0.02   0.01   0.01     0.02   0.00   0.02
    12   6     0.02   0.02   0.02    -0.02  -0.01  -0.00    -0.01  -0.02  -0.02
    13   7     0.02  -0.04  -0.03    -0.00   0.01   0.01    -0.02   0.03   0.02
    14   1     0.08  -0.20  -0.16     0.04  -0.12  -0.09     0.03  -0.17  -0.12
    15   1    -0.00   0.24   0.20    -0.02   0.15   0.12     0.00   0.21   0.17
    16   1    -0.22  -0.05   0.17    -0.10   0.01   0.08    -0.16  -0.06   0.13
    17   1     0.24   0.13  -0.23     0.08   0.05  -0.10     0.19   0.11  -0.18
    18   1     0.22  -0.04   0.17    -0.09  -0.02  -0.08    -0.16   0.06  -0.13
    19   1    -0.24   0.12  -0.23     0.08  -0.05   0.09     0.19  -0.11   0.18
    20   1    -0.08  -0.20  -0.16     0.04   0.12   0.09     0.03   0.17   0.12
    21   1     0.00   0.24   0.21    -0.02  -0.14  -0.11     0.00  -0.21  -0.17
    22   1    -0.06   0.10  -0.03     0.03  -0.06   0.03     0.06  -0.10   0.05
    23   1    -0.13   0.13   0.01     0.07  -0.06  -0.00     0.17  -0.17  -0.01
    24   1    -0.07   0.12   0.04     0.03  -0.07   0.00     0.05  -0.09  -0.04
    25   1    -0.04   0.20  -0.02    -0.01  -0.05  -0.01     0.07  -0.23   0.02
    26   1    -0.03  -0.00  -0.01     0.25   0.05   0.07    -0.13  -0.02  -0.04
    27   1    -0.02   0.01  -0.00     0.15  -0.04   0.02    -0.12   0.02  -0.02
    28   1     0.06   0.12   0.04     0.03   0.07   0.00     0.05   0.09   0.04
    29   1     0.04   0.20  -0.02    -0.01   0.06   0.01     0.07   0.23  -0.02
    30   1     0.06   0.10  -0.03     0.04   0.06  -0.03     0.06   0.10  -0.05
    31   1     0.13   0.12   0.01     0.07   0.06   0.00     0.17   0.16   0.01
    32   1     0.01   0.01  -0.02    -0.18  -0.11   0.26     0.11   0.07  -0.16
    33   1    -0.02  -0.02   0.01     0.27   0.20  -0.25    -0.12  -0.08   0.11
    34   1     0.02  -0.01   0.01     0.27  -0.20   0.25    -0.12   0.08  -0.11
    35   1    -0.01   0.01  -0.01    -0.18   0.11  -0.26     0.11  -0.07   0.16
    36   1     0.02   0.01  -0.00     0.15   0.04  -0.02    -0.12  -0.02   0.02
    37   1     0.02  -0.00  -0.01     0.25  -0.04  -0.07    -0.13   0.02   0.04
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.7371              1348.0922              1351.6983
 Red. masses --      1.1923                 1.1884                 1.1988
 Frc consts  --      1.2760                 1.2725                 1.2905
 IR Inten    --      3.5102                12.8988                 6.4387
 RamAct Fr= 1--      8.5126                14.5810                 5.4665
  Dep-P Fr= 1--      0.7500                 0.7495                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      1.2161                 2.0821                 0.7809
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      8.5213               -11.3961                -2.4026
 Delta2 Fr= 1--      1.4744                -0.9457                 0.3194
 Raman1 Fr= 1--      34.051                 58.324                 21.866
 ROA1   Fr= 1--     865.225              -1124.285               -220.429
 CID1   Fr= 1--      25.410                -19.277                -10.081
 Raman2 Fr= 1--      14.593                 24.986                  9.371
 ROA2   Fr= 1--     192.715               -265.940                -60.218
 CID2   Fr= 1--      13.206                -10.644                 -6.426
 Raman3 Fr= 1--      29.186                 49.971                 18.742
 ROA3   Fr= 1--     865.225              -1124.285               -220.429
 CID3   Fr= 1--      29.645                -22.499                -11.761
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01   0.00
     2   6    -0.02   0.06  -0.01    -0.00  -0.00   0.00     0.01  -0.01   0.00
     3   7    -0.04  -0.05  -0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.03   0.03    -0.01  -0.03   0.03
     6   6    -0.00  -0.00  -0.01    -0.02  -0.01  -0.04    -0.01  -0.02  -0.04
     7   6     0.00   0.00  -0.01     0.00   0.02  -0.04     0.01   0.02  -0.04
     8   7     0.00   0.01   0.01     0.02   0.01   0.03     0.02   0.02   0.03
     9   7     0.04  -0.05  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    10   7    -0.00  -0.00   0.00     0.00   0.03  -0.03     0.01  -0.03   0.03
    11   6     0.00  -0.00  -0.00    -0.02   0.01   0.04     0.01  -0.02  -0.04
    12   6    -0.00   0.00  -0.01     0.00  -0.02   0.04    -0.01   0.02  -0.04
    13   7    -0.00   0.01   0.01     0.02  -0.01  -0.03    -0.02   0.02   0.03
    14   1    -0.01  -0.02  -0.01    -0.05  -0.15  -0.09    -0.05  -0.14  -0.08
    15   1    -0.01   0.04   0.03    -0.06   0.27   0.21    -0.06   0.30   0.23
    16   1     0.02   0.00  -0.02     0.12   0.12  -0.11     0.07   0.10  -0.07
    17   1    -0.05  -0.03   0.07    -0.27  -0.09   0.22    -0.26  -0.07   0.21
    18   1    -0.02   0.00  -0.02     0.12  -0.12   0.11    -0.08   0.11  -0.07
    19   1     0.05  -0.03   0.06    -0.27   0.09  -0.23     0.26  -0.08   0.21
    20   1     0.01  -0.02  -0.01    -0.05   0.15   0.09     0.05  -0.14  -0.08
    21   1     0.01   0.03   0.02    -0.06  -0.27  -0.21     0.06   0.30   0.23
    22   1     0.01  -0.01  -0.01    -0.04   0.04   0.08     0.01   0.00  -0.08
    23   1    -0.01   0.02   0.01     0.15  -0.22  -0.05    -0.18   0.23   0.04
    24   1     0.00   0.00  -0.01     0.00  -0.03   0.08     0.00   0.02  -0.08
    25   1     0.01  -0.04   0.00    -0.11   0.24  -0.05     0.10  -0.24   0.05
    26   1    -0.37  -0.08  -0.01    -0.02  -0.00  -0.01     0.05   0.01  -0.01
    27   1     0.05   0.11  -0.02    -0.03   0.00  -0.00    -0.06  -0.02  -0.00
    28   1    -0.00   0.00  -0.02     0.00   0.03  -0.08    -0.00   0.02  -0.07
    29   1    -0.01  -0.05   0.01    -0.10  -0.24   0.05    -0.09  -0.23   0.04
    30   1    -0.01  -0.01  -0.01    -0.04  -0.04  -0.08    -0.01   0.00  -0.08
    31   1     0.02   0.03   0.01     0.15   0.22   0.05     0.18   0.23   0.04
    32   1     0.23   0.11  -0.09     0.02   0.01  -0.03    -0.04  -0.02   0.01
    33   1    -0.29  -0.19   0.35    -0.01  -0.01   0.01     0.05   0.03  -0.07
    34   1     0.29  -0.19   0.36    -0.02   0.01  -0.02    -0.05   0.03  -0.07
    35   1    -0.23   0.10  -0.09     0.02  -0.02   0.03     0.04  -0.02   0.01
    36   1    -0.05   0.11  -0.02    -0.02  -0.01   0.00     0.06  -0.02  -0.00
    37   1     0.37  -0.08  -0.01    -0.03   0.01   0.01    -0.05   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.4549              1405.0486              1407.6406
 Red. masses --      1.2682                 1.2707                 1.2598
 Frc consts  --      1.4739                 1.4780                 1.4707
 IR Inten    --      0.8605                 0.1242                 2.3214
 RamAct Fr= 1--      1.4436                 2.5793                 0.8130
  Dep-P Fr= 1--      0.7500                 0.7496                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2062                 0.3684                 0.1161
 AlphaG Fr= 1--     -0.0000                -0.0002                 0.0000
 Gamma2 Fr= 1--     -1.8074                 3.3586                 1.0019
 Delta2 Fr= 1--     -0.7634                 1.6739                 0.5394
 Raman1 Fr= 1--       5.775                 10.317                  3.252
 ROA1   Fr= 1--    -197.939                375.993                113.444
 CID1   Fr= 1--     -34.277                 36.443                 34.883
 Raman2 Fr= 1--       2.475                  4.420                  1.394
 ROA2   Fr= 1--     -37.271                 67.216                 19.731
 CID2   Fr= 1--     -15.060                 15.206                 14.156
 Raman3 Fr= 1--       4.950                  8.841                  2.788
 ROA3   Fr= 1--    -197.939                375.993                113.444
 CID3   Fr= 1--     -39.990                 42.530                 40.696
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.00  -0.08     0.00   0.00  -0.00    -0.01  -0.00   0.02
     2   6    -0.06   0.00  -0.08     0.00  -0.00   0.00     0.01  -0.00   0.02
     3   7    -0.01   0.02   0.03    -0.00  -0.00   0.00     0.00  -0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.02   0.00  -0.01    -0.02   0.01  -0.01
     6   6     0.01  -0.02  -0.01     0.03  -0.06  -0.02     0.03  -0.06  -0.02
     7   6     0.01   0.00  -0.00     0.07   0.01  -0.02     0.07   0.01  -0.02
     8   7    -0.00   0.00  -0.00    -0.02   0.02  -0.01    -0.02   0.01  -0.01
     9   7     0.01   0.02   0.03    -0.00   0.00  -0.00    -0.00  -0.01  -0.01
    10   7     0.01   0.00  -0.00    -0.02  -0.01   0.01     0.02   0.01  -0.01
    11   6    -0.01  -0.02  -0.01     0.03   0.06   0.02    -0.02  -0.06  -0.02
    12   6    -0.01   0.00  -0.00     0.07  -0.01   0.02    -0.07   0.01  -0.02
    13   7     0.00   0.00  -0.00    -0.02  -0.02   0.01     0.02   0.01  -0.01
    14   1    -0.01   0.08   0.06    -0.04   0.29   0.22    -0.03   0.29   0.22
    15   1    -0.02   0.05   0.04    -0.10   0.21   0.15    -0.09   0.18   0.14
    16   1    -0.05  -0.01   0.05    -0.27  -0.11   0.23    -0.26  -0.12   0.23
    17   1    -0.05   0.01   0.02    -0.23  -0.01   0.16    -0.21  -0.01   0.14
    18   1     0.05  -0.01   0.05    -0.27   0.11  -0.23     0.26  -0.11   0.23
    19   1     0.05   0.01   0.02    -0.23   0.01  -0.16     0.20  -0.01   0.14
    20   1     0.01   0.09   0.06    -0.04  -0.29  -0.22     0.03   0.29   0.22
    21   1     0.02   0.05   0.04    -0.10  -0.21  -0.16     0.09   0.18   0.14
    22   1    -0.02   0.03   0.01     0.07  -0.10  -0.04    -0.06   0.08   0.06
    23   1     0.02  -0.04  -0.01    -0.05   0.11   0.04     0.07  -0.13  -0.04
    24   1     0.01  -0.02   0.01    -0.05   0.10  -0.05     0.04  -0.09   0.06
    25   1    -0.01   0.03  -0.01     0.07  -0.09   0.04    -0.08   0.13  -0.04
    26   1     0.17   0.05  -0.04     0.00   0.00   0.00    -0.03  -0.01   0.01
    27   1    -0.15  -0.07   0.01     0.00  -0.00   0.00     0.07   0.02   0.00
    28   1    -0.01  -0.02   0.01    -0.05  -0.10   0.05    -0.04  -0.09   0.06
    29   1     0.01   0.03  -0.01     0.07   0.09  -0.04     0.08   0.13  -0.04
    30   1     0.02   0.03   0.01     0.07   0.10   0.04     0.06   0.08   0.06
    31   1    -0.01  -0.04  -0.01    -0.05  -0.11  -0.04    -0.07  -0.13  -0.04
    32   1    -0.32  -0.21   0.33    -0.01  -0.00   0.01     0.08   0.05  -0.07
    33   1    -0.18  -0.12   0.32    -0.00  -0.01   0.00     0.04   0.03  -0.07
    34   1     0.18  -0.12   0.32    -0.00   0.00   0.00    -0.04   0.03  -0.07
    35   1     0.32  -0.21   0.33    -0.01   0.00  -0.01    -0.08   0.05  -0.07
    36   1     0.15  -0.06   0.01     0.00   0.00  -0.00    -0.07   0.02   0.00
    37   1    -0.17   0.05  -0.04     0.00  -0.00  -0.00     0.03  -0.01   0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1442.6752              1443.8012              1445.7408
 Red. masses --      1.4425                 1.4527                 1.4508
 Frc consts  --      1.7689                 1.7842                 1.7866
 IR Inten    --      3.1811                 2.6232                 0.9977
 RamAct Fr= 1--      0.3652                 0.6651                 0.5048
  Dep-P Fr= 1--      0.7500                 0.7068                 0.6676
  Dep-U Fr= 1--      0.8571                 0.8282                 0.8007
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0007
 Beta2  Fr= 1--      0.0522                 0.0918                 0.0674
 AlphaG Fr= 1--      0.0000                -0.0177                 0.0194
 Gamma2 Fr= 1--     -1.6417                 0.6811                -0.4158
 Delta2 Fr= 1--     -1.1014                 0.5695                -0.4258
 Raman1 Fr= 1--       1.461                  2.660                  2.019
 ROA1   Fr= 1--    -192.849                 83.605                -53.540
 CID1   Fr= 1--    -132.031                 31.426                -26.514
 Raman2 Fr= 1--       0.626                  1.102                  0.808
 ROA2   Fr= 1--     -30.589                 11.790                 -6.573
 CID2   Fr= 1--     -48.866                 10.702                 -8.131
 Raman3 Fr= 1--       1.252                  2.203                  1.617
 ROA3   Fr= 1--    -192.849                 83.605                -53.540
 CID3   Fr= 1--    -154.036                 37.945                -33.114
 RC180  Fr= 1--       0.714                  0.656                  0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.03   0.03  -0.13    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.01     0.03  -0.03   0.13    -0.00  -0.00   0.00
     3   7    -0.00  -0.00  -0.00     0.01  -0.01  -0.04     0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7    -0.03   0.01   0.00     0.00  -0.00   0.00    -0.03   0.01  -0.00
     6   6     0.05  -0.06  -0.05    -0.00   0.00  -0.00     0.06  -0.06  -0.05
     7   6    -0.08   0.02   0.05     0.00  -0.00   0.00    -0.08   0.02   0.05
     8   7     0.02  -0.02   0.00    -0.00  -0.00  -0.00     0.02  -0.02   0.00
     9   7     0.00  -0.00  -0.00     0.01   0.01   0.04     0.00  -0.00  -0.00
    10   7     0.03   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.01   0.00
    11   6    -0.05  -0.06  -0.05    -0.00  -0.00   0.00     0.06   0.06   0.05
    12   6     0.08   0.02   0.05    -0.00   0.00  -0.00    -0.08  -0.02  -0.05
    13   7    -0.02  -0.02   0.00     0.00   0.00   0.00     0.02   0.02  -0.00
    14   1    -0.09   0.29   0.27     0.00  -0.02  -0.01    -0.11   0.27   0.28
    15   1    -0.05   0.17   0.09     0.00   0.00   0.00    -0.08   0.17   0.07
    16   1     0.29   0.04  -0.28    -0.00   0.02   0.01     0.29   0.04  -0.29
    17   1     0.18   0.02  -0.08    -0.01   0.02  -0.02     0.19   0.02  -0.08
    18   1    -0.29   0.04  -0.29     0.00  -0.02  -0.01     0.29  -0.04   0.28
    19   1    -0.18   0.02  -0.08    -0.01  -0.02   0.02     0.19  -0.02   0.08
    20   1     0.09   0.29   0.27    -0.00   0.01   0.01    -0.11  -0.26  -0.28
    21   1     0.05   0.17   0.09     0.00  -0.01  -0.00    -0.08  -0.17  -0.07
    22   1    -0.07   0.13   0.02     0.00  -0.00   0.01     0.08  -0.13  -0.03
    23   1    -0.00  -0.11  -0.06     0.02  -0.02  -0.00    -0.01   0.09   0.05
    24   1    -0.07   0.13  -0.02     0.01  -0.02  -0.01     0.07  -0.13   0.03
    25   1     0.08  -0.05   0.06    -0.01  -0.01  -0.01    -0.08   0.05  -0.05
    26   1    -0.02  -0.00   0.00     0.11   0.05  -0.09    -0.02  -0.00   0.00
    27   1     0.01  -0.00   0.00    -0.22  -0.03   0.00     0.00  -0.00  -0.00
    28   1     0.07   0.12  -0.02     0.01   0.02   0.01     0.07   0.13  -0.03
    29   1    -0.08  -0.05   0.06    -0.00   0.01   0.01    -0.08  -0.05   0.05
    30   1     0.07   0.12   0.01    -0.00  -0.00  -0.01     0.08   0.13   0.03
    31   1     0.00  -0.11  -0.06     0.02   0.02   0.00    -0.01  -0.09  -0.05
    32   1     0.00   0.01  -0.02    -0.27  -0.25   0.43     0.02  -0.01   0.02
    33   1    -0.00  -0.01  -0.02    -0.17  -0.05   0.23    -0.00   0.01   0.02
    34   1     0.00  -0.01  -0.02    -0.16   0.04  -0.23    -0.00  -0.01  -0.02
    35   1    -0.01   0.02  -0.03    -0.27   0.25  -0.43     0.02   0.01  -0.02
    36   1    -0.01   0.00   0.00    -0.22   0.03  -0.00     0.00   0.00   0.00
    37   1     0.02  -0.00   0.00     0.11  -0.05   0.09    -0.02   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.8309              1502.9443              1503.6487
 Red. masses --      1.0811                 1.0804                 1.0791
 Frc consts  --      1.4385                 1.4379                 1.4374
 IR Inten    --     27.1698                27.3436                22.4296
 RamAct Fr= 1--      6.3387                 7.6898                 3.4377
  Dep-P Fr= 1--      0.4167                 0.5872                 0.7484
  Dep-U Fr= 1--      0.5883                 0.7399                 0.8561
 Alpha2 Fr= 1--      0.0442                 0.0234                 0.0001
 Beta2  Fr= 1--      0.6215                 0.9483                 0.4905
 AlphaG Fr= 1--      0.0661                 0.0321                 0.0009
 Gamma2 Fr= 1--     -2.0461                -1.8083                -1.5982
 Delta2 Fr= 1--     -0.9524                -0.5963                -0.9697
 Raman1 Fr= 1--      25.355                 30.759                 13.751
 ROA1   Fr= 1--    -226.905               -192.682               -184.463
 CID1   Fr= 1--      -8.949                 -6.264                -13.415
 Raman2 Fr= 1--       7.458                 11.379                  5.886
 ROA2   Fr= 1--     -41.488                -38.629                -30.600
 CID2   Fr= 1--      -5.563                 -3.395                 -5.199
 Raman3 Fr= 1--      14.916                 22.759                 11.772
 ROA3   Fr= 1--    -226.905               -192.682               -184.463
 CID3   Fr= 1--     -15.212                 -8.466                -15.669
 RC180  Fr= 1--       0.177                  0.480                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.04     0.01   0.01   0.02    -0.01  -0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.05   0.03   0.05    -0.00   0.00   0.00
     3   7    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00     0.02  -0.00  -0.00
     7   6    -0.01   0.03  -0.00    -0.00   0.02  -0.00     0.02  -0.05   0.01
     8   7     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
     9   7    -0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.02  -0.00  -0.00
    12   6    -0.00  -0.02   0.00    -0.01  -0.02   0.00    -0.01  -0.05   0.01
    13   7     0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    14   1     0.08   0.05  -0.06     0.07   0.04  -0.05    -0.11  -0.05   0.09
    15   1     0.10  -0.01   0.07     0.08  -0.02   0.05    -0.12   0.02  -0.08
    16   1    -0.05  -0.23  -0.10    -0.05  -0.17  -0.06     0.11   0.45   0.19
    17   1     0.13  -0.16   0.15     0.09  -0.12   0.11    -0.26   0.32  -0.29
    18   1    -0.05   0.18   0.07    -0.04   0.17   0.08    -0.10   0.39   0.16
    19   1     0.10   0.13  -0.12     0.10   0.12  -0.11     0.23   0.28  -0.26
    20   1     0.08  -0.05   0.06     0.07  -0.05   0.05     0.11  -0.06   0.09
    21   1     0.09   0.02  -0.06     0.08   0.01  -0.06     0.12   0.02  -0.08
    22   1    -0.00   0.00   0.01     0.00  -0.00   0.01    -0.02   0.01   0.03
    23   1     0.00  -0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    24   1    -0.01   0.04  -0.01     0.00  -0.01   0.00    -0.01   0.01  -0.00
    25   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.02   0.00  -0.01     0.00   0.00  -0.01    -0.03  -0.00  -0.01
    27   1     0.01   0.01  -0.00     0.01   0.03  -0.00     0.00   0.02  -0.00
    28   1    -0.00  -0.00  -0.00    -0.01  -0.04   0.01     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    30   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.02   0.01   0.03
    31   1     0.01   0.00  -0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    32   1     0.52  -0.17   0.23    -0.13   0.07  -0.11     0.07  -0.01   0.01
    33   1     0.17   0.49   0.32    -0.06  -0.15  -0.10     0.02   0.05   0.03
    34   1    -0.01  -0.00  -0.00     0.18  -0.49  -0.32     0.01  -0.03  -0.02
    35   1     0.03  -0.02   0.04     0.52   0.18  -0.24     0.02   0.01  -0.02
    36   1     0.02  -0.03   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    37   1     0.00   0.00   0.02     0.02  -0.00   0.01     0.03  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.9733              1504.7246              1505.2980
 Red. masses --      1.0797                 1.0786                 1.0844
 Frc consts  --      1.4389                 1.4389                 1.4477
 IR Inten    --      6.6527                11.7075                 1.3624
 RamAct Fr= 1--     14.4445                11.0383                 1.5193
  Dep-P Fr= 1--      0.7007                 0.3097                 0.7469
  Dep-U Fr= 1--      0.8240                 0.4730                 0.8551
 Alpha2 Fr= 1--      0.0124                 0.1099                 0.0001
 Beta2  Fr= 1--      1.9838                 0.8701                 0.2165
 AlphaG Fr= 1--      0.0552                -0.2121                -0.0001
 Gamma2 Fr= 1--      3.7603                -1.5867                 2.8087
 Delta2 Fr= 1--      0.7118                 0.0114                 0.9988
 Raman1 Fr= 1--      57.778                 44.153                  6.077
 ROA1   Fr= 1--     383.767               -151.960                301.599
 CID1   Fr= 1--       6.642                 -3.442                 49.627
 Raman2 Fr= 1--      23.806                 10.441                  2.598
 ROA2   Fr= 1--      84.553                -38.173                 59.419
 CID2   Fr= 1--       3.552                 -3.656                 22.868
 Raman3 Fr= 1--      47.611                 20.883                  5.197
 ROA3   Fr= 1--     383.767               -151.960                301.599
 CID3   Fr= 1--       8.060                 -7.277                 58.037
 RC180  Fr= 1--       0.648                 -0.054                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.03   0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   7    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4  45     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
     6   6     0.02   0.00   0.00    -0.04  -0.02  -0.01    -0.06  -0.01  -0.01
     7   6     0.01  -0.03   0.00    -0.00  -0.02   0.01     0.00  -0.02   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   7     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    11   6     0.02  -0.00  -0.00    -0.04   0.02   0.01     0.05  -0.01  -0.01
    12   6     0.02   0.04  -0.00     0.00   0.03  -0.01    -0.00  -0.02   0.00
    13   7    -0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    14   1    -0.12  -0.09   0.08     0.27   0.29  -0.15     0.32   0.32  -0.19
    15   1    -0.14   0.01  -0.10     0.34  -0.05   0.24     0.40  -0.07   0.28
    16   1     0.05   0.24   0.11     0.09   0.20   0.05     0.07   0.13   0.02
    17   1    -0.15   0.17  -0.15    -0.11   0.13  -0.13    -0.08   0.08  -0.08
    18   1     0.07  -0.32  -0.15     0.10  -0.24  -0.06    -0.07   0.14   0.03
    19   1    -0.19  -0.23   0.21    -0.13  -0.16   0.15     0.08   0.09  -0.08
    20   1    -0.15   0.12  -0.11     0.28  -0.31   0.15    -0.29   0.30  -0.18
    21   1    -0.18  -0.02   0.13     0.36   0.05  -0.25    -0.37  -0.06   0.26
    22   1    -0.00   0.01  -0.01     0.03  -0.03  -0.04     0.01  -0.01   0.01
    23   1    -0.01   0.00  -0.00    -0.03  -0.01  -0.01     0.01   0.00   0.00
    24   1    -0.00   0.02  -0.01     0.00  -0.02   0.03     0.00   0.02  -0.03
    25   1     0.00  -0.00  -0.00     0.01   0.02   0.01    -0.02  -0.01  -0.01
    26   1    -0.02  -0.00  -0.03    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    27   1     0.02   0.04  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    28   1    -0.00  -0.02   0.01     0.00   0.02  -0.03    -0.00   0.02  -0.04
    29   1     0.00   0.00   0.00     0.01  -0.02  -0.01     0.02  -0.01  -0.01
    30   1    -0.00  -0.01   0.01     0.03   0.03   0.03    -0.01  -0.01   0.01
    31   1    -0.00  -0.00   0.00    -0.02   0.01   0.01    -0.01   0.00   0.00
    32   1     0.29  -0.06   0.08     0.03  -0.00   0.00     0.00   0.00  -0.00
    33   1     0.08   0.24   0.16     0.01   0.02   0.01     0.00  -0.00  -0.00
    34   1     0.10  -0.28  -0.18     0.01  -0.02  -0.01    -0.00   0.00   0.00
    35   1     0.33   0.08  -0.10     0.03   0.00  -0.00    -0.01   0.00  -0.00
    36   1     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00   0.01  -0.00
    37   1    -0.02   0.00   0.03    -0.02   0.00   0.01     0.01  -0.00  -0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1641.1493              1654.4291              1656.5217
 Red. masses --      1.0766                 1.0781                 1.0815
 Frc consts  --      1.7084                 1.7386                 1.7485
 IR Inten    --    167.4825                 9.3212                16.6771
 RamAct Fr= 1--      0.0071                 5.8927                 4.7415
  Dep-P Fr= 1--      0.7500                 0.7496                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0010                 0.8416                 0.6774
 AlphaG Fr= 1--     -0.0000                 0.0017                 0.0000
 Gamma2 Fr= 1--     -0.0059                -0.6767                 3.2406
 Delta2 Fr= 1--     -0.0220                 3.3277                 4.0475
 Raman1 Fr= 1--       0.028                 23.571                 18.966
 ROA1   Fr= 1--      -1.272                 41.524                440.614
 CID1   Fr= 1--     -45.061                  1.762                 23.232
 Raman2 Fr= 1--       0.012                 10.099                  8.128
 ROA2   Fr= 1--       0.034                -42.861                 45.394
 CID2   Fr= 1--       2.829                 -4.244                  5.585
 Raman3 Fr= 1--       0.024                 20.198                 16.256
 ROA3   Fr= 1--      -1.272                 41.524                440.614
 CID3   Fr= 1--     -52.572                  2.056                 27.104
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.01  -0.02   0.02    -0.01   0.03  -0.02     0.01  -0.01   0.01
     4  45     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.01   0.02    -0.00   0.01   0.02     0.00  -0.02  -0.04
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     8   7    -0.01  -0.00   0.02    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     9   7    -0.01  -0.02   0.02    -0.01  -0.03   0.02    -0.01  -0.01   0.01
    10   7     0.00   0.01   0.02    -0.00  -0.01  -0.02    -0.00  -0.02  -0.04
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
    13   7     0.01  -0.00   0.02    -0.01   0.00  -0.02     0.01  -0.00   0.02
    14   1    -0.01  -0.01   0.01     0.00   0.01   0.01    -0.01  -0.00   0.01
    15   1    -0.02  -0.01  -0.01    -0.00  -0.01  -0.00    -0.01   0.03   0.00
    16   1    -0.01  -0.01   0.01     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    17   1     0.01   0.01  -0.01     0.01   0.01  -0.00     0.03  -0.01   0.01
    18   1     0.01  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02  -0.02
    19   1    -0.01   0.01  -0.01     0.00  -0.01   0.00    -0.03  -0.01   0.01
    20   1     0.01  -0.01   0.01     0.00  -0.01  -0.01     0.01  -0.00   0.01
    21   1     0.02  -0.01  -0.01    -0.00   0.01   0.00     0.01   0.03   0.00
    22   1     0.08   0.02  -0.24    -0.08  -0.01   0.25    -0.14  -0.01   0.39
    23   1    -0.15  -0.18  -0.13     0.14   0.17   0.13     0.24   0.27   0.20
    24   1     0.06   0.06  -0.26    -0.04  -0.06   0.20     0.04   0.05  -0.18
    25   1    -0.24  -0.05  -0.14     0.18   0.04   0.11    -0.15  -0.05  -0.09
    26   1     0.10   0.05  -0.31     0.10   0.06  -0.35     0.06   0.03  -0.16
    27   1     0.03   0.32  -0.03     0.04   0.38  -0.03     0.02   0.17  -0.01
    28   1    -0.06   0.06  -0.26    -0.04   0.06  -0.20    -0.04   0.05  -0.18
    29   1     0.24  -0.04  -0.14     0.19  -0.04  -0.11     0.15  -0.05  -0.09
    30   1    -0.08   0.02  -0.24    -0.08   0.01  -0.23     0.14  -0.01   0.41
    31   1     0.15  -0.18  -0.13     0.13  -0.16  -0.12    -0.25   0.28   0.21
    32   1    -0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.01  -0.00   0.00
    33   1     0.02   0.01  -0.00     0.01  -0.01  -0.03     0.01  -0.00   0.00
    34   1    -0.02   0.01  -0.00     0.01   0.01   0.03    -0.01  -0.00  -0.00
    35   1     0.01  -0.00   0.00    -0.02  -0.01   0.01     0.01  -0.00   0.00
    36   1    -0.03   0.32  -0.03     0.04  -0.37   0.03    -0.03   0.19  -0.02
    37   1    -0.10   0.05  -0.30     0.10  -0.05   0.34    -0.07   0.03  -0.18
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.8911              1668.1543              1671.0253
 Red. masses --      1.0776                 1.0775                 1.0750
 Frc consts  --      1.7493                 1.7666                 1.7685
 IR Inten    --      0.9984                 2.2504                39.5001
 RamAct Fr= 1--     12.5041                 4.3640                 1.7352
  Dep-P Fr= 1--      0.7484                 0.7498                 0.7500
  Dep-U Fr= 1--      0.8561                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0000
 Beta2  Fr= 1--      1.7841                 0.6233                 0.2479
 AlphaG Fr= 1--      0.0035                -0.0005                -0.0000
 Gamma2 Fr= 1--    -15.2730                 7.2596                 3.9490
 Delta2 Fr= 1--     -6.3040                 1.3532                 0.3138
 Raman1 Fr= 1--      50.016                 17.456                  6.941
 ROA1   Fr= 1--   -1667.938                740.228                389.145
 CID1   Fr= 1--     -33.348                 42.406                 56.066
 Raman2 Fr= 1--      21.409                  7.480                  2.975
 ROA2   Fr= 1--    -316.120                163.405                 92.266
 CID2   Fr= 1--     -14.766                 21.845                 31.017
 Raman3 Fr= 1--      42.819                 14.960                  5.949
 ROA3   Fr= 1--   -1667.938                740.228                389.145
 CID3   Fr= 1--     -38.954                 49.480                 65.410
 RC180  Fr= 1--       0.712                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.00  -0.01   0.00    -0.01   0.02  -0.02     0.01  -0.02   0.02
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.01  -0.02     0.00  -0.02  -0.03     0.00  -0.00  -0.00
     6   6     0.01  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     7   6    -0.00   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.01
     8   7    -0.02  -0.01   0.04     0.01   0.00  -0.01     0.02   0.00  -0.03
     9   7     0.00   0.01  -0.00    -0.01  -0.02   0.02    -0.01  -0.02   0.02
    10   7     0.00   0.01   0.02     0.00   0.02   0.03    -0.00  -0.00  -0.00
    11   6     0.01   0.00   0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    12   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.01
    13   7    -0.02   0.01  -0.04     0.01  -0.00   0.01    -0.02   0.00  -0.03
    14   1    -0.02  -0.02   0.02    -0.01  -0.02  -0.00     0.01   0.01  -0.01
    15   1    -0.03   0.02  -0.01    -0.01   0.02   0.00     0.02  -0.01   0.01
    16   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01     0.01   0.01  -0.00
    17   1     0.03   0.00   0.00     0.01  -0.02   0.01    -0.02  -0.01   0.01
    18   1    -0.01   0.02   0.01    -0.00   0.01   0.01    -0.01   0.01  -0.00
    19   1     0.03  -0.00  -0.00     0.01   0.02  -0.01     0.02  -0.01   0.01
    20   1    -0.02   0.02  -0.02    -0.01   0.02   0.00    -0.01   0.00  -0.01
    21   1    -0.03  -0.02   0.01    -0.01  -0.02  -0.00    -0.02  -0.01   0.01
    22   1     0.07   0.02  -0.24     0.11   0.01  -0.33     0.00  -0.01   0.02
    23   1    -0.14  -0.16  -0.12    -0.20  -0.23  -0.17     0.02   0.02   0.02
    24   1    -0.09  -0.10   0.40     0.03   0.02  -0.14    -0.08  -0.09   0.35
    25   1     0.36   0.07   0.21    -0.12  -0.03  -0.07     0.31   0.06   0.19
    26   1    -0.01  -0.01   0.08     0.09   0.05  -0.30     0.09   0.05  -0.31
    27   1    -0.01  -0.08   0.01     0.04   0.32  -0.03     0.03   0.33  -0.03
    28   1    -0.09   0.09  -0.40     0.04  -0.02   0.15     0.08  -0.09   0.35
    29   1     0.36  -0.07  -0.21    -0.13   0.03   0.08    -0.31   0.06   0.18
    30   1     0.07  -0.02   0.23     0.11  -0.01   0.34    -0.00  -0.01   0.01
    31   1    -0.14   0.16   0.12    -0.20   0.23   0.17    -0.01   0.01   0.01
    32   1     0.01  -0.01   0.01    -0.02   0.01  -0.01     0.00  -0.01   0.01
    33   1    -0.00   0.01   0.01     0.01  -0.02  -0.03     0.02   0.01   0.00
    34   1    -0.00  -0.01  -0.01     0.01   0.02   0.03    -0.02   0.01   0.00
    35   1     0.01   0.01  -0.01    -0.02  -0.01   0.01    -0.00  -0.01   0.01
    36   1    -0.01   0.07  -0.01     0.04  -0.31   0.03    -0.03   0.33  -0.03
    37   1    -0.01   0.01  -0.08     0.09  -0.05   0.29    -0.09   0.05  -0.32
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3069.1632              3069.2449              3071.5029
 Red. masses --      1.0634                 1.0634                 1.0631
 Frc consts  --      5.9019                 5.9023                 5.9089
 IR Inten    --      3.9519                 7.1829                 5.7899
 RamAct Fr= 1--    365.7041               105.6849               213.5240
  Dep-P Fr= 1--      0.0238                 0.0929                 0.0421
  Dep-U Fr= 1--      0.0464                 0.1700                 0.0808
 Alpha2 Fr= 1--      7.6865                 1.8829                 4.2978
 Beta2  Fr= 1--      2.8303                 2.9936                 2.8746
 AlphaG Fr= 1--     -1.3289                -0.3288                 0.2452
 Gamma2 Fr= 1--    -24.0067                15.9953                 8.1103
 Delta2 Fr= 1--    -13.5763                12.2522                 7.4003
 Raman1 Fr= 1--    1462.816                422.740                854.096
 ROA1   Fr= 1--   -2739.084               1927.618               1015.397
 CID1   Fr= 1--      -1.872                  4.560                  1.189
 Raman2 Fr= 1--      33.964                 35.924                 34.496
 ROA2   Fr= 1--    -467.550                285.870                135.445
 CID2   Fr= 1--     -13.766                  7.958                  3.926
 Raman3 Fr= 1--      67.927                 71.847                 68.992
 ROA3   Fr= 1--   -2739.084               1927.618               1015.397
 CID3   Fr= 1--     -40.324                 26.829                 14.718
 RC180  Fr= 1--      -0.907                 -0.660                 -0.838
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.03   0.03
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.04  -0.00   0.01     0.01  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03   0.05  -0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
     8   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01   0.00  -0.00    -0.04  -0.00   0.01     0.00  -0.00  -0.00
    12   6    -0.01  -0.02   0.00     0.02   0.05  -0.01    -0.00  -0.00   0.00
    13   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.31   0.16  -0.32    -0.10   0.05  -0.10    -0.01   0.01  -0.02
    15   1    -0.12  -0.16   0.17    -0.04  -0.05   0.05    -0.01  -0.01   0.01
    16   1     0.42  -0.24   0.44     0.14  -0.08   0.15     0.00  -0.00   0.01
    17   1    -0.13  -0.30  -0.26    -0.05  -0.11  -0.09    -0.00  -0.00  -0.00
    18   1     0.14   0.08  -0.15    -0.41  -0.24   0.44     0.00   0.00  -0.00
    19   1    -0.04   0.10   0.08     0.13  -0.30  -0.26    -0.00   0.00   0.00
    20   1    -0.11  -0.06   0.11     0.31   0.16  -0.32    -0.01  -0.01   0.02
    21   1    -0.04   0.06  -0.06     0.12  -0.17   0.17    -0.01   0.01  -0.01
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    28   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.01   0.01    -0.00  -0.01  -0.01    -0.01  -0.52  -0.27
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.29   0.21  -0.11
    34   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.30  -0.22   0.11
    35   1     0.00  -0.02  -0.01     0.00   0.01   0.00    -0.01   0.53   0.27
    36   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3075.0342              3075.3234              3076.4682
 Red. masses --      1.0604                 1.0605                 1.0604
 Frc consts  --      5.9075                 5.9094                 5.9133
 IR Inten    --      0.2153                17.0196                 9.0921
 RamAct Fr= 1--     82.9156                22.9686                50.6436
  Dep-P Fr= 1--      0.5388                 0.7454                 0.7495
  Dep-U Fr= 1--      0.7003                 0.8541                 0.8568
 Alpha2 Fr= 1--      0.3371                 0.0018                 0.0004
 Beta2  Fr= 1--      9.6779                 3.2696                 7.2323
 AlphaG Fr= 1--     -0.1029                -0.0005                -0.0000
 Gamma2 Fr= 1--      7.1990                 9.7713                -6.2756
 Delta2 Fr= 1--      7.1973                 5.5383                -6.3029
 Raman1 Fr= 1--     331.662                 91.875                202.574
 ROA1   Fr= 1--     921.420               1115.272               -804.153
 CID1   Fr= 1--       2.778                 12.139                 -3.970
 Raman2 Fr= 1--     116.134                 39.235                 86.788
 ROA2   Fr= 1--     115.198                190.205               -100.192
 CID2   Fr= 1--       0.992                  4.848                 -1.154
 Raman3 Fr= 1--     232.269                 78.471                173.575
 ROA3   Fr= 1--     921.420               1115.272               -804.153
 CID3   Fr= 1--       3.967                 14.213                 -4.633
 RC180  Fr= 1--       0.401                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.03
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.04   0.01   0.00    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.03   0.00    -0.01   0.03   0.00    -0.00   0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.04  -0.01  -0.00     0.04  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.01   0.03  -0.00     0.01   0.03  -0.00     0.00   0.00  -0.00
    13   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.27   0.14  -0.27     0.28  -0.15   0.29     0.00  -0.00   0.00
    15   1    -0.17  -0.24   0.24     0.19   0.26  -0.26     0.00   0.00  -0.00
    16   1    -0.17   0.10  -0.18     0.18  -0.10   0.18     0.00  -0.00   0.00
    17   1     0.09   0.21   0.17    -0.10  -0.22  -0.18    -0.00  -0.00  -0.00
    18   1    -0.19  -0.11   0.20    -0.17  -0.10   0.18    -0.00  -0.00   0.00
    19   1     0.10  -0.22  -0.19     0.09  -0.21  -0.18     0.00  -0.00  -0.00
    20   1    -0.28  -0.15   0.28    -0.27  -0.14   0.27    -0.00  -0.00   0.00
    21   1    -0.18   0.25  -0.25    -0.18   0.24  -0.24    -0.00   0.00  -0.00
    22   1     0.01   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
    28   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00   0.01   0.01    -0.00  -0.01  -0.00     0.00   0.44   0.23
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00     0.40  -0.28   0.15
    34   1     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.39  -0.28   0.15
    35   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.01   0.43   0.22
    36   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.4483              3115.5192              3116.3548
 Red. masses --      1.1072                 1.1072                 1.1077
 Frc consts  --      6.3317                 6.3320                 6.3384
 IR Inten    --     12.4873                 4.6093                 6.7539
 RamAct Fr= 1--    147.6151               185.8818               164.8540
  Dep-P Fr= 1--      0.7483                 0.2265                 0.3345
  Dep-U Fr= 1--      0.8561                 0.3694                 0.5013
 Alpha2 Fr= 1--      0.0042                 2.3505                 1.5207
 Beta2  Fr= 1--     21.0610                11.4441                13.7746
 AlphaG Fr= 1--      0.0003                 0.1987                -0.7044
 Gamma2 Fr= 1--    -59.4643                 3.0239                34.0793
 Delta2 Fr= 1--    -46.2000                 5.4093                10.8151
 Raman1 Fr= 1--     590.460                743.527                659.416
 ROA1   Fr= 1--   -7186.969                463.395               3617.696
 CID1   Fr= 1--     -12.172                  0.623                  5.486
 Raman2 Fr= 1--     252.732                137.329                165.296
 ROA2   Fr= 1--   -1057.542                 29.300                731.382
 CID2   Fr= 1--      -4.184                  0.213                  4.425
 Raman3 Fr= 1--     505.464                274.659                330.591
 ROA3   Fr= 1--   -7186.969                463.395               3617.696
 CID3   Fr= 1--     -14.219                  1.687                 10.943
 RC180  Fr= 1--       0.712                 -0.261                  0.003
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.04   0.05  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.04  -0.05   0.00
     3   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.04     0.00   0.03  -0.03     0.00   0.00  -0.00
     7   6    -0.03  -0.02  -0.04     0.02   0.02   0.04     0.00   0.00   0.00
     8   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.03   0.03     0.00  -0.03   0.04     0.00  -0.00   0.00
    12   6     0.02  -0.02  -0.04     0.03  -0.02  -0.04     0.00  -0.00  -0.00
    13   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.17   0.08  -0.16     0.15  -0.08   0.15     0.01  -0.01   0.01
    15   1     0.20   0.26  -0.26    -0.18  -0.24   0.24    -0.02  -0.02   0.02
    16   1     0.18  -0.11   0.19    -0.16   0.10  -0.17    -0.01   0.01  -0.02
    17   1     0.14   0.35   0.28    -0.13  -0.32  -0.26    -0.01  -0.03  -0.02
    18   1    -0.16  -0.10   0.17    -0.18  -0.11   0.18    -0.01  -0.01   0.01
    19   1    -0.13   0.32   0.26    -0.14   0.34   0.28    -0.01   0.03   0.02
    20   1     0.15   0.08  -0.15     0.17   0.09  -0.17     0.01   0.01  -0.01
    21   1    -0.19   0.24  -0.24    -0.20   0.26  -0.26    -0.02   0.02  -0.02
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.02   0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   1    -0.01   0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.01  -0.33  -0.17
    33   1     0.00  -0.00   0.00    -0.04   0.03  -0.02     0.47  -0.31   0.19
    34   1     0.00   0.00  -0.00    -0.04  -0.03   0.02     0.47   0.32  -0.19
    35   1     0.00   0.00   0.00     0.00  -0.03  -0.02    -0.01   0.33   0.18
    36   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.7816              3125.7933              3127.1169
 Red. masses --      1.1101                 1.1102                 1.1100
 Frc consts  --      6.3905                 6.3908                 6.3954
 IR Inten    --      3.6084                 5.2895                 3.1284
 RamAct Fr= 1--     32.5607                79.4982                57.1991
  Dep-P Fr= 1--      0.7500                 0.7492                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8566                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0000
 Beta2  Fr= 1--      4.6514                11.3501                 8.1713
 AlphaG Fr= 1--      0.0001                 0.0020                -0.0000
 Gamma2 Fr= 1--     21.8755                46.9421               -36.6340
 Delta2 Fr= 1--      4.1293                 5.3447                -3.6325
 Raman1 Fr= 1--     130.243                317.993                228.797
 ROA1   Fr= 1--    2232.184               4677.470              -3633.105
 CID1   Fr= 1--      17.139                 14.709                -15.879
 Raman2 Fr= 1--      55.817                136.201                 98.056
 ROA2   Fr= 1--     491.977               1083.853               -850.156
 CID2   Fr= 1--       8.814                  7.958                 -8.670
 Raman3 Fr= 1--     111.634                272.403                196.111
 ROA3   Fr= 1--    2232.184               4677.470              -3633.105
 CID3   Fr= 1--      19.995                 17.171                -18.526
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.06  -0.01
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.01
     3   7    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.03    -0.01   0.04  -0.05    -0.00   0.00  -0.00
     7   6     0.02   0.01   0.03    -0.03  -0.01  -0.04    -0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.01  -0.04   0.05    -0.00  -0.02   0.03     0.00   0.00  -0.00
    12   6    -0.03   0.01   0.04    -0.02   0.01   0.03     0.00  -0.00  -0.00
    13   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.19   0.10  -0.19     0.30  -0.15   0.29     0.01  -0.01   0.01
    15   1     0.14   0.18  -0.18    -0.21  -0.27   0.27    -0.01  -0.01   0.01
    16   1    -0.16   0.10  -0.17     0.25  -0.15   0.26     0.01  -0.01   0.01
    17   1    -0.07  -0.19  -0.15     0.12   0.29   0.24     0.00   0.01   0.01
    18   1     0.25   0.15  -0.26     0.17   0.10  -0.17    -0.01  -0.01   0.01
    19   1     0.12  -0.29  -0.24     0.08  -0.19  -0.16    -0.00   0.01   0.01
    20   1     0.29   0.15  -0.29     0.19   0.10  -0.19    -0.01  -0.01   0.01
    21   1    -0.21   0.27  -0.27    -0.14   0.18  -0.18     0.01  -0.01   0.01
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.01  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.01    -0.01   0.00   0.01     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.01
    27   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.01   0.00   0.01    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    32   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.01   0.45   0.24
    33   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.38   0.26  -0.16
    34   1     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.38   0.26  -0.15
    35   1    -0.00   0.02   0.01     0.00  -0.00  -0.00    -0.01   0.45   0.24
    36   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    37   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.8252              3431.9629              3432.0150
 Red. masses --      1.0525                 1.0525                 1.0524
 Frc consts  --      7.3031                 7.3042                 7.3035
 IR Inten    --     51.1390               108.4899                92.3411
 RamAct Fr= 1--      5.7622                 1.7287                 2.2977
  Dep-P Fr= 1--      0.7153                 0.7268                 0.7331
  Dep-U Fr= 1--      0.8340                 0.8418                 0.8460
 Alpha2 Fr= 1--      0.0035                 0.0007                 0.0007
 Beta2  Fr= 1--      0.8009                 0.2425                 0.3240
 AlphaG Fr= 1--      0.0069                 0.0118                 0.0134
 Gamma2 Fr= 1--     15.6267                 4.3750                 6.3676
 Delta2 Fr= 1--     -0.1428                -0.4501                -0.5956
 Raman1 Fr= 1--      23.049                  6.915                  9.191
 ROA1   Fr= 1--    1495.592                405.596                592.233
 CID1   Fr= 1--      64.888                 58.655                 64.438
 Raman2 Fr= 1--       9.611                  2.911                  3.888
 ROA2   Fr= 1--     376.183                108.601                157.588
 CID2   Fr= 1--      39.139                 37.312                 40.537
 Raman3 Fr= 1--      19.223                  5.821                  7.775
 ROA3   Fr= 1--    1495.592                405.596                592.233
 CID3   Fr= 1--      77.803                 69.676                 76.170
 RC180  Fr= 1--       0.668                  0.684                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   7     0.00  -0.02   0.02     0.00  -0.02   0.02    -0.00   0.01  -0.01
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.00   0.00   0.02    -0.01   0.00   0.03     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   7     0.01  -0.00  -0.03    -0.01   0.00   0.02    -0.00   0.00   0.02
     9   7    -0.00  -0.02   0.01     0.00   0.01  -0.01    -0.00  -0.03   0.03
    10   7     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.01   0.00   0.03     0.00   0.00   0.01
    14   1    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00  -0.01
    21   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    22   1    -0.07  -0.06  -0.02     0.02   0.01   0.00    -0.31  -0.24  -0.09
    23   1     0.05   0.04  -0.10    -0.01  -0.01   0.02     0.21   0.17  -0.42
    24   1     0.27   0.11   0.07    -0.27  -0.11  -0.07    -0.14  -0.06  -0.04
    25   1    -0.19  -0.06   0.30     0.19   0.06  -0.31     0.09   0.03  -0.15
    26   1    -0.03   0.26   0.05     0.01  -0.09  -0.02    -0.05   0.46   0.09
    27   1     0.04  -0.04  -0.25    -0.01   0.02   0.09     0.06  -0.07  -0.44
    28   1    -0.27   0.11   0.07     0.23  -0.09  -0.06     0.16  -0.06  -0.04
    29   1     0.19  -0.06   0.30    -0.16   0.05  -0.25    -0.11   0.04  -0.18
    30   1     0.14  -0.11  -0.04     0.27  -0.21  -0.07    -0.04   0.03   0.01
    31   1    -0.09   0.08  -0.19    -0.18   0.14  -0.36     0.03  -0.02   0.05
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    36   1    -0.05  -0.06  -0.38    -0.05  -0.06  -0.36     0.01   0.02   0.09
    37   1     0.04   0.40   0.07     0.04   0.38   0.07    -0.01  -0.09  -0.02
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.0245              3433.1473              3434.1356
 Red. masses --      1.0529                 1.0527                 1.0528
 Frc consts  --      7.3112                 7.3105                 7.3150
 IR Inten    --      4.8974                 1.7810                 0.0964
 RamAct Fr= 1--     25.4142                16.8087               467.5393
  Dep-P Fr= 1--      0.6618                 0.7229                 0.0136
  Dep-U Fr= 1--      0.7965                 0.8392                 0.0268
 Alpha2 Fr= 1--      0.0400                 0.0078                10.0654
 Beta2  Fr= 1--      3.3736                 2.3509                 2.0853
 AlphaG Fr= 1--     -0.0653                -0.0045                 0.0316
 Gamma2 Fr= 1--     -4.3420                -6.1835               -13.0525
 Delta2 Fr= 1--     -1.4090                 0.8961                -3.0797
 Raman1 Fr= 1--     101.657                 67.235               1870.157
 ROA1   Fr= 1--    -461.915               -564.945              -1351.587
 CID1   Fr= 1--      -4.544                 -8.403                 -0.723
 Raman2 Fr= 1--      40.483                 28.210                 25.024
 ROA2   Fr= 1--     -92.935               -155.574               -288.621
 CID2   Fr= 1--      -2.296                 -5.515                -11.534
 Raman3 Fr= 1--      80.966                 56.421                 50.048
 ROA3   Fr= 1--    -461.915               -564.945              -1351.587
 CID3   Fr= 1--      -5.705                -10.013                -27.006
 RC180  Fr= 1--       0.593                  0.678                 -0.946
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   7    -0.00   0.01  -0.01     0.00  -0.02   0.02    -0.00   0.02  -0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00   0.02     0.01  -0.00  -0.03    -0.00   0.00   0.02
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   7    -0.01   0.00   0.03    -0.00   0.00   0.01     0.00  -0.00  -0.02
     9   7    -0.00  -0.01   0.01    -0.00  -0.02   0.02    -0.00  -0.02   0.02
    10   7    -0.00  -0.00  -0.01    -0.01  -0.00  -0.03    -0.00  -0.00  -0.03
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.00   0.00   0.00     0.00   0.00   0.02
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1     0.11   0.09   0.03     0.27   0.21   0.07     0.21   0.17   0.06
    23   1    -0.07  -0.06   0.15    -0.18  -0.15   0.37    -0.14  -0.12   0.29
    24   1     0.34   0.14   0.09    -0.05  -0.02  -0.01    -0.21  -0.09  -0.05
    25   1    -0.24  -0.08   0.39     0.03   0.01  -0.05     0.14   0.05  -0.23
    26   1    -0.01   0.13   0.02    -0.03   0.30   0.06    -0.03   0.31   0.06
    27   1     0.02  -0.02  -0.12     0.04  -0.05  -0.30     0.04  -0.05  -0.29
    28   1     0.34  -0.14  -0.08     0.13  -0.05  -0.03    -0.21   0.09   0.05
    29   1    -0.24   0.08  -0.38    -0.09   0.03  -0.14     0.15  -0.05   0.24
    30   1     0.18  -0.14  -0.05    -0.26   0.20   0.07     0.21  -0.16  -0.06
    31   1    -0.12   0.09  -0.24     0.17  -0.14   0.35    -0.14   0.11  -0.28
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.02   0.03   0.17    -0.04  -0.04  -0.26     0.04   0.04   0.27
    37   1    -0.02  -0.18  -0.03     0.03   0.27   0.05    -0.03  -0.29  -0.05
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.6467              3480.8920              3482.1400
 Red. masses --      1.0925                 1.0926                 1.0930
 Frc consts  --      7.7981                 7.8001                 7.8081
 IR Inten    --     21.1383                42.2954                22.3241
 RamAct Fr= 1--     26.6531                23.7253                31.0218
  Dep-P Fr= 1--      0.7445                 0.5710                 0.6965
  Dep-U Fr= 1--      0.8536                 0.7269                 0.8211
 Alpha2 Fr= 1--      0.0025                 0.0801                 0.0290
 Beta2  Fr= 1--      3.7917                 2.8745                 4.2455
 AlphaG Fr= 1--      0.0113                 0.3344                -0.1226
 Gamma2 Fr= 1--    -37.5386                39.7234               -27.8686
 Delta2 Fr= 1--    -14.4754                20.2779               -12.5103
 Raman1 Fr= 1--     106.612                 94.901                124.087
 ROA1   Fr= 1--   -4066.915               4462.345              -3075.714
 CID1   Fr= 1--     -38.147                 47.021                -24.787
 Raman2 Fr= 1--      45.500                 34.494                 50.946
 ROA2   Fr= 1--    -785.123                791.139               -568.764
 CID2   Fr= 1--     -17.255                 22.936                -11.164
 Raman3 Fr= 1--      91.001                 68.987                101.892
 ROA3   Fr= 1--   -4066.915               4462.345              -3075.714
 CID3   Fr= 1--     -44.691                 64.684                -30.186
 RC180  Fr= 1--       0.707                  0.454                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.01  -0.01     0.00   0.01   0.00    -0.01  -0.05  -0.05
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   7     0.04  -0.01   0.01    -0.06   0.02  -0.02    -0.01   0.00  -0.00
     9   7     0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.02   0.02
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.06  -0.02   0.02    -0.04  -0.02   0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1    -0.01   0.00  -0.01     0.01  -0.01   0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01   0.01  -0.01     0.01   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1     0.04   0.03   0.01    -0.05  -0.04  -0.02     0.21   0.16   0.07
    23   1     0.01   0.01  -0.03    -0.02  -0.01   0.04     0.08   0.07  -0.18
    24   1     0.55   0.23   0.17     0.39   0.16   0.12    -0.02  -0.01  -0.01
    25   1     0.25   0.08  -0.44     0.17   0.06  -0.31    -0.01  -0.00   0.01
    26   1    -0.01   0.11   0.02    -0.00   0.01   0.00     0.02  -0.20  -0.03
    27   1    -0.02   0.01   0.12    -0.00   0.00   0.00     0.03  -0.02  -0.21
    28   1    -0.37   0.15   0.11     0.56  -0.23  -0.17     0.10  -0.04  -0.03
    29   1    -0.17   0.05  -0.30     0.25  -0.08   0.44     0.05  -0.02   0.09
    30   1    -0.05   0.04   0.01    -0.03   0.02   0.01     0.09  -0.07  -0.03
    31   1    -0.02   0.01  -0.04    -0.01   0.01  -0.02     0.04  -0.03   0.08
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    33   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.02   0.01
    36   1     0.02   0.01   0.12    -0.01  -0.01  -0.06     0.08   0.07   0.62
    37   1     0.01   0.11   0.02    -0.01  -0.06  -0.01     0.06   0.59   0.08
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3482.3000              3482.8984              3483.1671
 Red. masses --      1.0929                 1.0927                 1.0924
 Frc consts  --      7.8087                 7.8096                 7.8089
 IR Inten    --     53.8995                33.5367                28.8688
 RamAct Fr= 1--     10.9743                48.9199                22.7312
  Dep-P Fr= 1--      0.7055                 0.7090                 0.7445
  Dep-U Fr= 1--      0.8273                 0.8297                 0.8536
 Alpha2 Fr= 1--      0.0085                 0.0348                 0.0021
 Beta2  Fr= 1--      1.5132                 6.7651                 3.2337
 AlphaG Fr= 1--     -0.0282                 0.2790                 0.0148
 Gamma2 Fr= 1--    -12.8479                52.9006               -22.0146
 Delta2 Fr= 1--     -4.7210                 7.8298                 2.9708
 Raman1 Fr= 1--      43.897                195.680                 90.925
 ROA1   Fr= 1--   -1384.473               5329.016              -2018.335
 CID1   Fr= 1--     -31.539                 27.233                -22.198
 Raman2 Fr= 1--      18.158                 81.181                 38.805
 ROA2   Fr= 1--    -270.582               1206.977               -552.117
 CID2   Fr= 1--     -14.901                 14.868                -14.228
 Raman3 Fr= 1--      36.316                162.363                 77.610
 ROA3   Fr= 1--   -1384.473               5329.016              -2018.335
 CID3   Fr= 1--     -38.123                 32.822                -26.006
 RC180  Fr= 1--       0.655                  0.659                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.01  -0.01
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7     0.02  -0.02   0.01    -0.03   0.02  -0.01    -0.05   0.04  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   7     0.01  -0.05  -0.05     0.00  -0.01  -0.01     0.00  -0.02  -0.02
    10   7    -0.00  -0.00   0.00    -0.05  -0.04   0.02     0.03   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.01  -0.00   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.00   0.01
    21   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.03   0.02   0.01     0.46   0.35   0.15    -0.31  -0.24  -0.10
    23   1     0.01   0.01  -0.03     0.19   0.16  -0.42    -0.12  -0.10   0.28
    24   1    -0.12  -0.05  -0.04     0.02   0.01   0.01     0.01   0.01   0.00
    25   1    -0.06  -0.02   0.10     0.01   0.00  -0.02     0.01   0.00  -0.01
    26   1    -0.06   0.59   0.08    -0.02   0.17   0.02    -0.02   0.19   0.03
    27   1    -0.08   0.07   0.61    -0.02   0.02   0.17    -0.03   0.02   0.20
    28   1     0.10  -0.04  -0.03     0.03  -0.01  -0.01    -0.01   0.00   0.00
    29   1     0.04  -0.01   0.08     0.01  -0.00   0.02    -0.00   0.00  -0.01
    30   1    -0.20   0.15   0.07     0.29  -0.22  -0.10     0.47  -0.36  -0.16
    31   1    -0.08   0.06  -0.17     0.12  -0.10   0.26     0.19  -0.16   0.43
    32   1     0.00   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    36   1     0.03   0.02   0.21    -0.03  -0.02  -0.22     0.02   0.01   0.12
    37   1     0.02   0.20   0.03    -0.02  -0.21  -0.03     0.01   0.11   0.02

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2547.093632591.510643900.78218
           X            1.00000  -0.00006  -0.00000
           Y            0.00006   1.00000   0.00026
           Z            0.00000  -0.00026   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03401     0.03342     0.02220
 Rotational constants (GHZ):           0.70855     0.69641     0.46266
 Zero-point vibrational energy     925914.5 (Joules/Mol)
                                  221.29887 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    125.48   130.13   160.24   204.91   207.06
          (Kelvin)            231.08   308.06   308.85   314.55   356.95
                              422.83   438.84   439.33   467.88   477.79
                              573.96   579.96   582.98   662.93   667.76
                              721.75   772.46   782.07   797.71   983.74
                              994.33  1027.00  1037.28  1086.20  1110.96
                             1246.30  1247.29  1248.02  1250.15  1251.96
                             1260.27  1411.51  1414.26  1414.77  1438.09
                             1441.48  1448.70  1509.25  1509.29  1510.68
                             1603.74  1603.89  1614.80  1682.99  1686.56
                             1708.65  1756.70  1763.73  1790.71  1859.30
                             1860.15  1867.88  1915.12  1917.03  1930.08
                             1939.09  1939.60  1944.79  2020.70  2021.55
                             2025.28  2075.69  2077.31  2080.10  2162.24
                             2162.40  2163.42  2163.88  2164.96  2165.79
                             2361.25  2380.35  2383.37  2388.21  2400.10
                             2404.23  4415.84  4415.96  4419.21  4424.29
                             4424.70  4426.35  4482.44  4482.54  4483.74
                             4497.30  4497.32  4499.22  4937.63  4937.83
                             4937.90  4939.36  4939.53  4940.96  5007.87
                             5008.23  5010.02  5010.25  5011.11  5011.50
 
 Zero-point correction=                           0.352662 (Hartree/Particle)
 Thermal correction to Energy=                    0.367665
 Thermal correction to Enthalpy=                  0.368609
 Thermal correction to Gibbs Free Energy=         0.312257
 Sum of electronic and zero-point Energies=           -681.283147
 Sum of electronic and thermal Energies=              -681.268145
 Sum of electronic and thermal Enthalpies=            -681.267200
 Sum of electronic and thermal Free Energies=         -681.323553
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.713             60.557            118.604
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.621
 Vibrational            228.936             54.595             44.163
 Vibration     1          0.601              1.958              3.722
 Vibration     2          0.602              1.956              3.650
 Vibration     3          0.607              1.940              3.245
 Vibration     4          0.616              1.911              2.771
 Vibration     5          0.616              1.909              2.751
 Vibration     6          0.622              1.891              2.543
 Vibration     7          0.644              1.819              2.008
 Vibration     8          0.645              1.819              2.004
 Vibration     9          0.646              1.813              1.970
 Vibration    10          0.662              1.766              1.744
 Vibration    11          0.689              1.685              1.452
 Vibration    12          0.696              1.664              1.389
 Vibration    13          0.696              1.664              1.387
 Vibration    14          0.709              1.625              1.284
 Vibration    15          0.714              1.611              1.250
 Vibration    16          0.765              1.472              0.967
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.770              1.459              0.944
 Vibration    19          0.819              1.337              0.764
 Vibration    20          0.822              1.330              0.754
 Vibration    21          0.857              1.246              0.654
 Vibration    22          0.892              1.168              0.572
 Vibration    23          0.899              1.154              0.558
 Vibration    24          0.910              1.130              0.535
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.235523-143       -143.627967       -330.715616
 Total V=0       0.384803D+19         18.585239         42.794094
 Vib (Bot)       0.692506-158       -158.159577       -364.175884
 Vib (Bot)    1  0.235862D+01          0.372658          0.858078
 Vib (Bot)    2  0.227316D+01          0.356629          0.821170
 Vib (Bot)    3  0.183848D+01          0.264460          0.608941
 Vib (Bot)    4  0.142675D+01          0.154348          0.355400
 Vib (Bot)    5  0.141137D+01          0.149642          0.344564
 Vib (Bot)    6  0.125849D+01          0.099851          0.229916
 Vib (Bot)    7  0.926090D+00         -0.033347         -0.076784
 Vib (Bot)    8  0.923523D+00         -0.034552         -0.079560
 Vib (Bot)    9  0.905292D+00         -0.043211         -0.099497
 Vib (Bot)   10  0.787388D+00         -0.103811         -0.239034
 Vib (Bot)   11  0.649336D+00         -0.187530         -0.431805
 Vib (Bot)   12  0.621745D+00         -0.206388         -0.475226
 Vib (Bot)   13  0.620925D+00         -0.206961         -0.476545
 Vib (Bot)   14  0.576263D+00         -0.239379         -0.551192
 Vib (Bot)   15  0.561925D+00         -0.250321         -0.576386
 Vib (Bot)   16  0.447149D+00         -0.349548         -0.804863
 Vib (Bot)   17  0.441173D+00         -0.355391         -0.818318
 Vib (Bot)   18  0.438199D+00         -0.358329         -0.825082
 Vib (Bot)   19  0.368912D+00         -0.433077         -0.997197
 Vib (Bot)   20  0.365228D+00         -0.437436         -1.007234
 Vib (Bot)   21  0.327155D+00         -0.485246         -1.117321
 Vib (Bot)   22  0.295965D+00         -0.528759         -1.217513
 Vib (Bot)   23  0.290490D+00         -0.536869         -1.236187
 Vib (Bot)   24  0.281841D+00         -0.549995         -1.266411
 Vib (V=0)       0.113143D+05          4.053629          9.333827
 Vib (V=0)    1  0.291104D+01          0.464048          1.068509
 Vib (V=0)    2  0.282750D+01          0.451402          1.039392
 Vib (V=0)    3  0.240526D+01          0.381162          0.877659
 Vib (V=0)    4  0.201183D+01          0.303591          0.699043
 Vib (V=0)    5  0.199732D+01          0.300448          0.691808
 Vib (V=0)    6  0.185418D+01          0.268152          0.617443
 Vib (V=0)    7  0.155245D+01          0.191016          0.439832
 Vib (V=0)    8  0.155019D+01          0.190384          0.438376
 Vib (V=0)    9  0.153419D+01          0.185880          0.428004
 Vib (V=0)   10  0.143273D+01          0.156164          0.359580
 Vib (V=0)   11  0.131953D+01          0.120421          0.277279
 Vib (V=0)   12  0.129785D+01          0.113225          0.260710
 Vib (V=0)   13  0.129721D+01          0.113011          0.260218
 Vib (V=0)   14  0.126294D+01          0.101383          0.233443
 Vib (V=0)   15  0.125217D+01          0.097663          0.224878
 Vib (V=0)   16  0.117078D+01          0.068474          0.157668
 Vib (V=0)   17  0.116681D+01          0.067000          0.154272
 Vib (V=0)   18  0.116484D+01          0.066268          0.152588
 Vib (V=0)   19  0.112137D+01          0.049748          0.114548
 Vib (V=0)   20  0.111919D+01          0.048902          0.112602
 Vib (V=0)   21  0.109752D+01          0.040413          0.093053
 Vib (V=0)   22  0.108103D+01          0.033838          0.077914
 Vib (V=0)   23  0.107826D+01          0.032723          0.075348
 Vib (V=0)   24  0.107396D+01          0.030990          0.071356
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181644D+07          6.259220         14.412388
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000005100   -0.000011887    0.000022263
      2        6           0.000024674   -0.000007295    0.000004029
      3        7          -0.000010636    0.000026720   -0.000042364
      4       45           0.000017130   -0.000084262   -0.000003418
      5        7          -0.000047401    0.000037833    0.000044979
      6        6           0.000006334   -0.000012716   -0.000025163
      7        6           0.000011055   -0.000018920    0.000010921
      8        7           0.000018590   -0.000022431   -0.000027330
      9        7          -0.000056269    0.000014816   -0.000004606
     10        7           0.000012714    0.000017478   -0.000043286
     11        6          -0.000007160    0.000033001    0.000052067
     12        6           0.000029748    0.000022177    0.000032591
     13        7           0.000022636   -0.000005004   -0.000024737
     14        1           0.000003460    0.000013517   -0.000027886
     15        1           0.000004111   -0.000004407    0.000002160
     16        1           0.000000319    0.000024622    0.000018310
     17        1           0.000003082   -0.000001730    0.000000535
     18        1          -0.000009274   -0.000014517   -0.000003400
     19        1          -0.000005202   -0.000001750    0.000001227
     20        1           0.000001694   -0.000015081    0.000022917
     21        1          -0.000005252   -0.000003557    0.000001696
     22        1           0.000008274   -0.000051368    0.000031366
     23        1          -0.000008175   -0.000011945    0.000016758
     24        1          -0.000013145    0.000002613   -0.000005732
     25        1           0.000009650    0.000013497   -0.000007122
     26        1          -0.000014991    0.000011089   -0.000003619
     27        1           0.000005990   -0.000001379    0.000007005
     28        1          -0.000019051   -0.000002055    0.000013357
     29        1           0.000018269   -0.000002927    0.000017093
     30        1           0.000010214    0.000025603   -0.000037802
     31        1          -0.000017459    0.000005819    0.000003228
     32        1          -0.000011035   -0.000007365   -0.000005448
     33        1           0.000001596    0.000005984   -0.000003788
     34        1          -0.000003859    0.000004921   -0.000004174
     35        1          -0.000001167    0.000009343   -0.000000539
     36        1           0.000012377   -0.000003162   -0.000011403
     37        1           0.000003060    0.000014724   -0.000020685
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000084262 RMS     0.000020496
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.156927D+03 -0.100980D-02 -0.182198D-02
      2  -0.100980D-02  0.155464D+03  0.347485D-01
      3  -0.182198D-02  0.347485D-01  0.122994D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.136100D+01 -0.404786D-01  0.243569D-02
      2  -0.226799D-01  0.320377D+01 -0.195352D+01
      3  -0.174048D-01 -0.182092D+01 -0.334474D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.904695D+02 -0.529055D+00  0.158467D-01
      2   0.968415D+02  0.560342D+00  0.159230D-01
      3  -0.637205D+01 -0.312875D-01 -0.317697D-01
      4  -0.550676D+00  0.993999D+02 -0.491150D+01
      5  -0.642726D-01  0.116208D+01 -0.914776D+01
      6  -0.942303D+01 -0.711734D-01 -0.531466D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.513340D+01 -0.419083D+01  0.361901D+01 -0.594735D+01  0.140422D+01
      2  -0.419083D+01  0.871877D+00 -0.571520D+00  0.140422D+01  0.294950D+01
      3   0.361901D+01 -0.571520D+00  0.937984D+00 -0.134670D+01  0.295271D+01
                 6             7             8             9            10 
      1  -0.134670D+01  0.230524D+01 -0.809096D+00  0.112457D+01  0.507848D+01
      2   0.295271D+01 -0.809096D+00  0.227914D+01  0.777715D+00  0.419864D+01
      3   0.588650D+00  0.112457D+01  0.777715D+00 -0.423089D+00 -0.360639D+01
                11            12            13            14            15 
      1   0.419864D+01 -0.360639D+01  0.596664D+01  0.147091D+01 -0.133976D+01
      2   0.927921D+00 -0.562575D+00  0.147091D+01 -0.293306D+01 -0.295821D+01
      3  -0.562575D+00  0.924357D+00 -0.133976D+01 -0.295821D+01 -0.584413D+00
                16            17            18            19            20 
      1  -0.229051D+01 -0.794852D+00  0.111680D+01 -0.979647D+01 -0.487332D+01
      2  -0.794852D+00 -0.228195D+01 -0.773202D+00 -0.487332D+01 -0.156941D+01
      3   0.111680D+01 -0.773202D+00  0.425009D+00  0.533983D+01  0.150978D+01
                21            22            23            24            25 
      1   0.533983D+01 -0.171656D+01 -0.693224D+00  0.273132D+00  0.341038D+01
      2   0.150978D+01 -0.693224D+00  0.171090D+01  0.137864D+01  0.129287D+01
      3  -0.226215D+01  0.273132D+00  0.137864D+01 -0.742164D+00 -0.209214D+01
                26            27            28            29            30 
      1   0.129287D+01 -0.209214D+01  0.182756D+01  0.116522D-01  0.393513D-02
      2   0.190673D+01 -0.100992D+01  0.116522D-01 -0.210139D+01 -0.163088D+01
      3  -0.100992D+01 -0.177316D+01  0.393513D-02 -0.163088D+01  0.231399D+00
                31            32            33            34            35 
      1   0.163949D-01 -0.205850D+01  0.196328D+01  0.901191D-02 -0.947549D-01
      2  -0.205850D+01 -0.730095D-02  0.173979D-02 -0.947549D-01  0.158330D-01
      3   0.196328D+01  0.173979D-02  0.387033D-02  0.142587D+00  0.390094D-02
                36            37            38            39            40 
      1   0.142587D+00  0.544957D+01  0.427492D+01 -0.204070D+01  0.644112D+01
      2   0.390094D-02  0.427492D+01  0.168406D+01 -0.320356D+01  0.372384D+01
      3   0.283804D-02 -0.204070D+01 -0.320356D+01  0.197213D+01 -0.393207D+01
                41            42            43            44            45 
      1   0.372384D+01 -0.393207D+01 -0.166396D+01 -0.203631D+01  0.252585D+01
      2   0.356249D+01 -0.269457D+01 -0.203631D+01 -0.142700D+01 -0.269476D-01
      3  -0.269457D+01  0.653462D+00  0.252585D+01 -0.269476D-01  0.755719D+00
                46            47            48            49            50 
      1  -0.319046D+01 -0.117840D+01 -0.219241D+00 -0.254033D+01 -0.271823D+01
      2  -0.117840D+01 -0.984126D+00  0.335946D+01 -0.271823D+01 -0.179893D+01
      3  -0.219241D+00  0.335946D+01 -0.198605D+01  0.342561D+01  0.276440D+01
                51            52            53            54            55 
      1   0.342561D+01  0.194320D+00  0.456573D+01 -0.296117D+01  0.637405D+00
      2   0.276440D+01  0.456573D+01  0.324810D+01 -0.894001D+00 -0.110466D+01
      3  -0.263412D+00 -0.296117D+01 -0.894001D+00  0.340955D+00  0.102158D+01
                56            57            58            59            60 
      1  -0.110466D+01  0.102158D+01 -0.322962D+00 -0.423587D+00 -0.289915D+01
      2  -0.243473D+01 -0.293532D+01 -0.423587D+00 -0.588690D+01 -0.349122D+01
      3  -0.293532D+01  0.898561D+00 -0.289915D+01 -0.349122D+01 -0.158229D+01
                61            62            63            64            65 
      1   0.160430D+01 -0.351252D+01  0.835576D+00  0.147359D+01  0.338419D+00
      2  -0.351252D+01 -0.494621D+01 -0.272189D+01  0.338419D+00  0.378550D+01
      3   0.835576D+00 -0.272189D+01 -0.197587D+00 -0.726637D+00  0.232285D+01
                66            67            68            69            70 
      1  -0.726637D+00 -0.291830D+00  0.956594D+00  0.163648D+01 -0.417895D+00
      2   0.232285D+01  0.956594D+00  0.119878D+02  0.507009D+01  0.975390D+00
      3  -0.518635D+00  0.163648D+01  0.507009D+01  0.174774D+01 -0.129580D+01
                71            72            73            74            75 
      1   0.975390D+00 -0.129580D+01 -0.981863D+01  0.484612D+01 -0.534119D+01
      2   0.325505D+01  0.200045D+01  0.484612D+01 -0.152456D+01  0.150206D+01
      3   0.200045D+01 -0.814133D+00 -0.534119D+01  0.150206D+01 -0.227576D+01
                76            77            78            79            80 
      1   0.167974D+01 -0.657949D+00  0.258873D+00 -0.341792D+01  0.129497D+01
      2  -0.657949D+00 -0.172020D+01 -0.137893D+01  0.129497D+01 -0.190853D+01
      3   0.258873D+00 -0.137893D+01  0.722177D+00 -0.210490D+01  0.993776D+00
                81            82            83            84            85 
      1  -0.210490D+01  0.548967D+01 -0.426837D+01  0.205424D+01 -0.644203D+01
      2   0.993776D+00 -0.426837D+01  0.167589D+01 -0.321688D+01  0.370560D+01
      3   0.177402D+01  0.205424D+01 -0.321688D+01  0.196646D+01 -0.394605D+01
                86            87            88            89            90 
      1   0.370560D+01 -0.394605D+01  0.166204D+01 -0.204012D+01  0.251798D+01
      2  -0.354413D+01  0.266587D+01 -0.204012D+01  0.140642D+01  0.354715D-01
      3   0.266587D+01 -0.647770D+00  0.251798D+01  0.354715D-01 -0.745831D+00
                91            92            93            94            95 
      1  -0.320992D+01  0.117428D+01  0.191520D+00  0.254431D+01 -0.272233D+01
      2   0.117428D+01 -0.998388D+00  0.337960D+01 -0.272233D+01  0.179054D+01
      3   0.191520D+00  0.337960D+01 -0.197592D+01  0.344331D+01 -0.273749D+01
                96            97            98            99           100 
      1   0.344331D+01 -0.226247D+00  0.458139D+01 -0.295056D+01  0.625148D+00
      2  -0.273749D+01  0.458139D+01 -0.320994D+01  0.875892D+00  0.112584D+01
      3   0.249874D+00 -0.295056D+01  0.875892D+00 -0.346661D+00 -0.991489D+00
               101           102           103           104           105 
      1   0.112584D+01 -0.991489D+00  0.330109D+00 -0.424309D+00 -0.291940D+01
      2  -0.244129D+01 -0.296033D+01 -0.424309D+00  0.583899D+01  0.345658D+01
      3  -0.296033D+01  0.877903D+00 -0.291940D+01  0.345658D+01  0.159493D+01
               106           107           108           109           110 
      1  -0.156992D+01 -0.354294D+01  0.809217D+00  0.147739D+01 -0.350877D+00
      2  -0.354294D+01  0.491644D+01  0.274067D+01 -0.350877D+00  0.382239D+01
      3   0.809217D+00  0.274067D+01  0.209767D+00  0.705978D+00  0.234522D+01
               111           112           113           114           115 
      1   0.705978D+00  0.290675D+00  0.995652D+00  0.165694D+01  0.407983D+00
      2   0.234522D+01  0.995652D+00 -0.119501D+02 -0.505141D+01  0.990277D+00
      3  -0.506527D+00  0.165694D+01 -0.505141D+01 -0.175673D+01 -0.128271D+01
               116           117           118           119           120 
      1   0.990277D+00 -0.128271D+01  0.511171D+01  0.235063D+00  0.153915D+01
      2  -0.326562D+01 -0.201946D+01  0.235063D+00  0.129698D+01 -0.263295D+00
      3  -0.201946D+01  0.812121D+00  0.153915D+01 -0.263295D+00  0.143828D+01
               121           122           123           124           125 
      1  -0.765620D+00  0.877426D+00 -0.559241D+00  0.267907D+01 -0.482832D+00
      2   0.877426D+00 -0.876720D+00  0.379706D+00 -0.482832D+00  0.850296D+00
      3  -0.559241D+00  0.379706D+00 -0.428396D+00  0.201838D+01  0.191388D-01
               126           127           128           129           130 
      1   0.201838D+01  0.455632D+01  0.300420D+01 -0.159192D+01  0.308697D+01
      2   0.191388D-01  0.300420D+01  0.268818D+01 -0.146444D+01  0.333473D+01
      3   0.212211D+01 -0.159192D+01 -0.146444D+01  0.143077D+01 -0.154425D+01
               131           132           133           134           135 
      1   0.333473D+01 -0.154425D+01 -0.284404D+01 -0.296583D+01  0.257747D+01
      2   0.562467D+01 -0.208091D+01 -0.296583D+01 -0.324067D+01  0.250535D+01
      3  -0.208091D+01  0.159332D+01  0.257747D+01  0.250535D+01 -0.276555D+01
               136           137           138           139           140 
      1  -0.249599D+01  0.108364D+01 -0.107413D+01  0.920442D+00 -0.112397D+01
      2   0.108364D+01 -0.222494D+01  0.891849D+00 -0.112397D+01  0.362690D+01
      3  -0.107413D+01  0.891849D+00 -0.115545D+01  0.557620D+00 -0.892515D+00
               141           142           143           144           145 
      1   0.557620D+00 -0.175867D+01  0.103605D+01 -0.103184D+01  0.151249D+01
      2  -0.892515D+00  0.103605D+01 -0.174014D+01  0.175585D+01  0.206869D+01
      3   0.989769D+00 -0.103184D+01  0.175585D+01 -0.221299D+01  0.581601D+00
               146           147           148           149           150 
      1   0.206869D+01  0.581601D+00  0.155543D+01  0.204763D+01  0.875357D+00
      2   0.242742D+01  0.955823D+00  0.204763D+01  0.948695D+01  0.291968D+01
      3   0.955823D+00  0.611978D+00  0.875357D+00  0.291968D+01  0.194266D+01
               151           152           153           154           155 
      1   0.507117D+00  0.160307D+01  0.809993D+00 -0.248029D+01 -0.108657D+01
      2   0.160307D+01  0.543734D+01  0.332182D+01 -0.108657D+01 -0.222570D+01
      3   0.809993D+00  0.332182D+01  0.252730D+01  0.106414D+01  0.893048D+00
               156           157           158           159           160 
      1   0.106414D+01 -0.926431D+00 -0.112182D+01  0.558582D+00  0.174575D+01
      2   0.893048D+00 -0.112182D+01 -0.365977D+01  0.900359D+00  0.103741D+01
      3  -0.114757D+01  0.558582D+00  0.900359D+00 -0.997217D+00 -0.102022D+01
               161           162           163           164           165 
      1   0.103741D+01 -0.102022D+01  0.153826D+01 -0.208253D+01 -0.594032D+00
      2   0.175452D+01 -0.176128D+01 -0.208253D+01  0.245304D+01  0.971036D+00
      3  -0.176128D+01  0.220475D+01 -0.594032D+00  0.971036D+00  0.626066D+00
               166           167           168           169           170 
      1  -0.156467D+01  0.206581D+01  0.887014D+00 -0.524753D+00  0.162705D+01
      2   0.206581D+01 -0.942686D+01 -0.291409D+01  0.162705D+01 -0.543152D+01
      3   0.887014D+00 -0.291409D+01 -0.194471D+01  0.829067D+00 -0.332713D+01
               171           172           173           174           175 
      1   0.829067D+00  0.511081D+01 -0.217670D+00 -0.153257D+01  0.784518D+00
      2  -0.332713D+01 -0.217670D+00  0.129448D+01 -0.270938D+00  0.878240D+00
      3  -0.254222D+01 -0.153257D+01 -0.270938D+00  0.143407D+01 -0.565739D+00
               176           177           178           179           180 
      1   0.878240D+00 -0.565739D+00 -0.266791D+01 -0.494532D+00  0.201310D+01
      2   0.896147D+00 -0.382910D+00 -0.494532D+00 -0.854219D+00 -0.779652D-02
      3  -0.382910D+00  0.436254D+00  0.201310D+01 -0.779652D-02 -0.211549D+01
               181           182           183           184           185 
      1   0.459321D+01 -0.301265D+01  0.160206D+01 -0.309792D+01  0.333865D+01
      2  -0.301265D+01  0.269309D+01 -0.146735D+01  0.333865D+01 -0.559876D+01
      3   0.160206D+01 -0.146735D+01  0.143450D+01 -0.154659D+01  0.206860D+01
               186           187           188           189           190 
      1  -0.154659D+01  0.286124D+01 -0.296659D+01  0.258257D+01  0.463153D+01
      2   0.206860D+01 -0.296659D+01  0.321727D+01 -0.249419D+01  0.938929D+00
      3  -0.158686D+01  0.258257D+01 -0.249419D+01  0.276024D+01  0.191555D+01
               191           192           193           194           195 
      1   0.938929D+00  0.191555D+01  0.267107D+01  0.133395D+00  0.192030D+01
      2   0.181605D+01  0.766592D+00  0.133395D+00  0.209866D+01 -0.584614D-01
      3   0.766592D+00  0.156336D+01  0.192030D+01 -0.584614D-01  0.144305D+01
               196           197           198           199           200 
      1   0.103613D+01  0.104860D+01  0.101149D+01 -0.168202D+01  0.135944D+01
      2   0.104860D+01  0.124861D+00  0.610599D+00  0.135944D+01 -0.102117D+01
      3   0.101149D+01  0.610599D+00  0.182318D+01 -0.120230D+00  0.104193D+01
               201           202           203           204           205 
      1  -0.120230D+00 -0.658173D-02 -0.295124D-01  0.317628D+00  0.125828D+01
      2   0.104193D+01 -0.295124D-01 -0.125644D+01  0.967061D+00 -0.289995D+00
      3  -0.168241D+01  0.317628D+00  0.967061D+00 -0.138033D+01  0.201186D+00
               206           207           208           209           210 
      1  -0.289995D+00  0.201186D+00 -0.361133D+01 -0.108801D+01 -0.163501D+01
      2   0.139274D+01 -0.141441D+01 -0.108801D+01 -0.379849D+01 -0.204650D+01
      3  -0.141441D+01  0.596371D+01 -0.163501D+01 -0.204650D+01 -0.193845D+01
               211           212           213           214           215 
      1  -0.167412D+01 -0.136458D+01 -0.981321D+00 -0.129646D+01 -0.875504D+00
      2  -0.136458D+01 -0.146540D+01 -0.281907D+00 -0.875504D+00  0.729199D-01
      3  -0.981321D+00 -0.281907D+00 -0.729255D+00 -0.100945D+01 -0.656596D+00
               216           217           218           219           220 
      1  -0.100945D+01  0.883780D+00 -0.693891D+00 -0.131071D+01 -0.494100D+00
      2  -0.656596D+00 -0.693891D+00  0.163082D+01  0.498047D+00 -0.833608D-01
      3  -0.187135D+01 -0.131071D+01  0.498047D+00  0.204003D+01 -0.231516D+00
               221           222           223           224           225 
      1  -0.833608D-01 -0.231516D+00 -0.112900D+01  0.225898D+00  0.117002D+01
      2   0.217069D+01  0.362590D+00  0.225898D+00 -0.155054D+01 -0.923046D+00
      3   0.362590D+00  0.640830D+00  0.117002D+01 -0.923046D+00 -0.580071D+01
               226           227           228           229           230 
      1   0.488336D+00  0.446026D+00  0.844302D+00  0.269314D+01 -0.124301D+01
      2   0.446026D+00 -0.108063D+01 -0.137704D+00 -0.124301D+01  0.595379D+01
      3   0.844302D+00 -0.137704D+00  0.206404D+00  0.953094D+00 -0.970910D+00
               231           232           233           234           235 
      1   0.953094D+00  0.183692D+01 -0.423097D+00  0.567350D+00  0.869087D+00
      2  -0.970910D+00 -0.423097D+00  0.115634D-01  0.500972D+00 -0.772611D+00
      3   0.130312D+01  0.567350D+00  0.500972D+00 -0.258241D+00  0.177301D-01
               236           237           238           239           240 
      1  -0.772611D+00  0.177301D-01 -0.128693D+01  0.100647D+00 -0.445628D+00
      2  -0.848103D-01 -0.384481D+00  0.100647D+00  0.757191D+00 -0.590302D+00
      3  -0.384481D+00  0.692516D+00 -0.445628D+00 -0.590302D+00 -0.347742D+00
               241           242           243           244           245 
      1  -0.195326D+01  0.277565D+00 -0.102503D+01 -0.362185D+01  0.109574D+01
      2   0.277565D+00 -0.102873D+01  0.121120D+01  0.109574D+01 -0.379858D+01
      3  -0.102503D+01  0.121120D+01 -0.737697D+01  0.164780D+01 -0.204296D+01
               246           247           248           249           250 
      1   0.164780D+01  0.167085D+01 -0.136042D+01 -0.977068D+00  0.130210D+01
      2  -0.204296D+01 -0.136042D+01  0.144027D+01  0.271634D+00 -0.870809D+00
      3  -0.194307D+01 -0.977068D+00  0.271634D+00  0.724205D+00 -0.101290D+01
               251           252           253           254           255 
      1  -0.870809D+00 -0.101290D+01  0.881781D+00  0.693468D+00  0.131370D+01
      2  -0.757104D-01  0.657120D+00  0.693468D+00  0.164686D+01  0.506447D+00
      3   0.657120D+00  0.187563D+01  0.131370D+01  0.506447D+00  0.204836D+01
               256           257           258           259           260 
      1   0.498872D+00 -0.703227D-01 -0.225379D+00  0.112835D+01  0.226452D+00
      2  -0.703227D-01 -0.216328D+01 -0.360290D+00  0.226452D+00  0.155525D+01
      3  -0.225379D+00 -0.360290D+00 -0.627544D+00  0.117104D+01  0.933734D+00
               261           262           263           264           265 
      1   0.117104D+01  0.465581D+01 -0.935751D+00 -0.191720D+01 -0.266033D+01
      2   0.933734D+00 -0.935751D+00  0.182359D+01  0.757453D+00  0.133940D+00
      3   0.580092D+01 -0.191720D+01  0.757453D+00  0.156010D+01  0.190879D+01
               266           267           268           269           270 
      1   0.133940D+00  0.190879D+01 -0.103168D+01  0.104653D+01  0.100363D+01
      2  -0.209438D+01  0.713657D-01  0.104653D+01 -0.111266D+00 -0.606251D+00
      3   0.713657D-01 -0.143086D+01  0.100363D+01 -0.606251D+00 -0.180762D+01
               271           272           273           274           275 
      1  -0.166850D+01 -0.136292D+01  0.117033D+00 -0.332315D-02 -0.367849D-01
      2  -0.136292D+01 -0.102841D+01  0.104000D+01 -0.367849D-01  0.124514D+01
      3   0.117033D+00  0.104000D+01 -0.168039D+01  0.318327D+00 -0.957455D+00
               276           277           278           279           280 
      1   0.318327D+00 -0.126094D+01 -0.295101D+00  0.205921D+00 -0.108610D+01
      2  -0.957455D+00 -0.295101D+00 -0.139494D+01  0.140905D+01 -0.739736D+00
      3   0.136583D+01  0.205921D+00  0.140905D+01 -0.597680D+01 -0.106430D+01
               281           282           283           284           285 
      1  -0.739736D+00 -0.106430D+01 -0.154621D+01 -0.131563D+01 -0.569921D+00
      2  -0.394942D+00 -0.181264D+00 -0.131563D+01 -0.419007D+01 -0.208871D+01
      3  -0.181264D+00 -0.454015D+00 -0.569921D+00 -0.208871D+01 -0.227374D+01
               286           287           288           289           290 
      1  -0.167960D+01 -0.423359D+00 -0.960202D+00 -0.982719D+01  0.245179D+01
      2  -0.423359D+00 -0.155366D+01 -0.149364D+01  0.245179D+01 -0.163076D+01
      3  -0.960202D+00 -0.149364D+01 -0.220179D+01 -0.268789D+01  0.656064D+00
               291           292           293           294           295 
      1  -0.268789D+01  0.487960D+01 -0.261751D+01  0.157679D+01 -0.299433D+01
      2   0.656064D+00 -0.261751D+01  0.138200D+01 -0.128758D+01  0.828667D+00
      3  -0.190528D+01  0.157679D+01 -0.128758D+01  0.940445D+00 -0.253454D+01
               296           297           298           299           300 
      1   0.828667D+00 -0.253454D+01 -0.979262D+01 -0.247669D+01  0.266885D+01
      2  -0.757521D+00  0.651405D+00 -0.247669D+01 -0.164764D+01  0.658420D+00
      3   0.651405D+00 -0.155924D+01  0.266885D+01  0.658420D+00 -0.189367D+01
               301           302           303           304           305 
      1  -0.491019D+01 -0.264558D+01  0.157856D+01  0.297365D+01  0.832770D+00
      2  -0.264558D+01 -0.141240D+01  0.129303D+01  0.832770D+00  0.761084D+00
      3   0.157856D+01  0.129303D+01 -0.945549D+00 -0.252281D+01 -0.659537D+00
               306           307           308           309           310 
      1  -0.252281D+01 -0.110862D+01  0.744872D+00  0.106820D+01  0.155754D+01
      2  -0.659537D+00  0.744872D+00 -0.412483D+00 -0.188732D+00 -0.133293D+01
      3   0.154768D+01  0.106820D+01 -0.188732D+00 -0.465103D+00 -0.579165D+00
               311           312           313           314           315 
      1  -0.133293D+01 -0.579165D+00  0.168414D+01 -0.427168D+00 -0.967612D+00
      2   0.417903D+01  0.208413D+01 -0.427168D+00  0.154927D+01  0.148892D+01
      3   0.208413D+01  0.227132D+01 -0.967612D+00  0.148892D+01  0.219858D+01
               316           317           318           319           320 
      1   0.856672D+00  0.777311D+00 -0.148727D-01  0.129668D+01  0.111072D+00
      2   0.777311D+00 -0.779252D-01 -0.383782D+00  0.111072D+00 -0.751471D+00
      3  -0.148727D-01 -0.383782D+00  0.684136D+00 -0.450293D+00  0.585611D+00
               321           322           323           324           325 
      1  -0.450293D+00  0.195136D+01  0.281655D+00 -0.102756D+01  0.508000D+00
      2   0.585611D+00  0.281655D+00  0.102773D+01 -0.120334D+01 -0.433540D+00
      3   0.363476D+00 -0.102756D+01 -0.120334D+01  0.737959D+01 -0.847676D+00
               326           327           328           329           330 
      1  -0.433540D+00 -0.847676D+00 -0.268663D+01 -0.123480D+01  0.949565D+00
      2  -0.105779D+01 -0.143166D+00 -0.123480D+01 -0.596549D+01  0.984087D+00
      3  -0.143166D+00  0.211082D+00  0.949565D+00  0.984087D+00 -0.130601D+01
               331           332           333 
      1  -0.183028D+01 -0.426931D+00  0.565633D+00
      2  -0.426931D+00 -0.438285D-02 -0.500376D+00
      3   0.565633D+00 -0.500376D+00  0.265331D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.218919D+01 -0.263177D+00 -0.142003D-01  0.460403D+00 -0.223149D+01
      2  -0.239018D+01 -0.710026D+01  0.787500D+01 -0.763287D+01 -0.851293D+01
      3  -0.777123D+01 -0.223886D+01  0.334676D+01  0.176312D+01  0.106467D+02
                 6             7             8             9            10 
      1  -0.438426D+01  0.875899D+00 -0.597560D+00 -0.425620D+00  0.220059D+01
      2  -0.628109D+01  0.235186D+01 -0.327707D+00 -0.119823D+00  0.243868D+01
      3   0.910600D+01  0.356350D+01  0.979802D+01  0.340122D+01  0.780305D+01
                11            12            13            14            15 
      1   0.329806D+00 -0.555745D-02 -0.395823D+00 -0.224463D+01 -0.439683D+01
      2  -0.713906D+01  0.787020D+01 -0.769717D+01  0.843202D+01  0.628271D+01
      3  -0.209688D+01  0.339929D+01  0.190546D+01 -0.106309D+02 -0.909132D+01
                16            17            18            19            20 
      1  -0.884085D+00 -0.590680D+00 -0.417585D+00  0.300129D+00  0.689391D+01
      2   0.231792D+01  0.314250D+00  0.137225D+00 -0.152868D+02  0.626486D+00
      3   0.361739D+01 -0.979483D+01 -0.338541D+01 -0.849789D+01  0.450862D+01
                21            22            23            24            25 
      1   0.105103D+01  0.165664D+02  0.148366D+02 -0.932532D+01  0.927092D+01
      2  -0.332354D+01 -0.152549D+01 -0.264184D+01 -0.637594D+00 -0.222592D+02
      3  -0.298532D+00  0.233962D+02  0.164670D+02 -0.862761D+01  0.222028D+01
                26            27            28            29            30 
      1   0.599667D+01 -0.124212D+02 -0.253711D+01 -0.700743D-02  0.111280D-01
      2  -0.819969D+01  0.210462D+02 -0.166912D-01  0.216629D+01  0.520424D+00
      3  -0.275930D+01  0.761093D+00 -0.247352D-02 -0.725073D+00  0.125510D+01
                31            32            33            34            35 
      1  -0.265856D-01  0.847439D+00 -0.826091D-01 -0.862949D-04 -0.221721D+01
      2   0.182269D-01 -0.179144D-02 -0.970023D-02  0.312628D+01  0.101021D-01
      3  -0.127627D+01  0.147295D-01  0.273434D-01  0.599338D+00  0.845432D-02
                36            37            38            39            40 
      1   0.164272D+00 -0.800916D+01  0.737209D+01  0.761712D+01  0.954727D+01
      2  -0.114071D-01 -0.176368D+02 -0.787029D+01  0.744482D+01  0.161845D+01
      3  -0.113860D-02 -0.227741D+02 -0.339854D+01  0.124617D+02  0.150674D+02
                41            42            43            44            45 
      1   0.911193D+01 -0.265434D+01  0.113159D+02  0.819871D+01 -0.733892D+01
      2  -0.259299D+00 -0.951609D+01 -0.159297D+02 -0.160869D+02  0.170812D+02
      3   0.137435D+02 -0.605359D+01  0.555111D+01 -0.512299D+01  0.264599D+01
                46            47            48            49            50 
      1   0.646018D+01 -0.376908D+01  0.319341D+01 -0.265350D+01 -0.689206D+01
      2  -0.416666D+01  0.507901D+01 -0.246932D+01  0.325077D+01  0.485403D+01
      3  -0.449843D+01  0.131067D+01 -0.901257D+01  0.788172D+01 -0.216687D+01
                51            52            53            54            55 
      1  -0.720114D+01  0.186096D+01 -0.312766D+01  0.120351D+01 -0.845417D+00
      2   0.350159D+01 -0.460512D+01  0.403871D+01 -0.123883D+01 -0.913135D+00
      3  -0.359495D+01 -0.131326D+02 -0.138020D+01 -0.592908D+01  0.690933D+01
                56            57            58            59            60 
      1   0.768481D+01 -0.769894D+01  0.956176D+01  0.137680D+01 -0.598048D+00
      2  -0.345540D+01  0.473360D+01 -0.318403D+01  0.107036D+01  0.816273D+00
      3  -0.627115D+01  0.167388D+01 -0.102795D+00 -0.714400D+00 -0.932286D+01
                61            62            63            64            65 
      1  -0.685079D+01  0.112998D+01 -0.138607D+01  0.690692D+00  0.249818D+01
      2   0.303024D+00  0.885978D+00  0.411289D+00 -0.288540D+01  0.158330D+02
      3   0.574543D+01 -0.117872D+02  0.633696D+01  0.351508D+00 -0.285904D+02
                66            67            68            69            70 
      1   0.704108D+01 -0.347100D+01 -0.152781D+02  0.261843D+01  0.675436D+01
      2   0.109137D+02  0.892569D+01 -0.404710D+01 -0.485436D+01  0.124734D+01
      3  -0.116872D+02 -0.894236D+01  0.871516D+01  0.797016D+01 -0.680155D+01
                71            72            73            74            75 
      1   0.263306D+02  0.176393D+02  0.344705D+00 -0.695506D+01 -0.983472D+00
      2  -0.110809D+01  0.198207D+01  0.153615D+02  0.630478D+00 -0.325362D+01
      3   0.225886D+01 -0.255664D+01  0.842499D+01  0.457183D+01 -0.313374D+00
                76            77            78            79            80 
      1  -0.165981D+02  0.147496D+02 -0.930247D+01 -0.921623D+01  0.597028D+01
      2  -0.155506D+01  0.270819D+01  0.622613D+00 -0.222432D+02  0.818213D+01
      3   0.234061D+02 -0.163589D+02  0.859314D+01  0.222609D+01  0.275819D+01
                81            82            83            84            85 
      1  -0.123452D+02 -0.801481D+01 -0.739174D+01 -0.767398D+01 -0.960465D+01
      2  -0.210993D+02  0.175563D+02 -0.787340D+01  0.739116D+01  0.165772D+01
      3  -0.795699D+00  0.226796D+02 -0.333525D+01  0.124766D+02  0.151798D+02
                86            87            88            89            90 
      1   0.905874D+01 -0.270654D+01 -0.113044D+02  0.809947D+01 -0.728861D+01
      2   0.226306D+00  0.957631D+01 -0.159887D+02  0.160687D+02 -0.170568D+02
      3  -0.137229D+02  0.612276D+01  0.553727D+01  0.516462D+01 -0.264693D+01
                91            92            93            94            95 
      1   0.642081D+01  0.380946D+01 -0.312246D+01  0.269789D+01 -0.681561D+01
      2   0.416913D+01  0.513272D+01 -0.243484D+01  0.328042D+01 -0.480674D+01
      3   0.448129D+01  0.137662D+01 -0.903432D+01  0.789833D+01  0.220616D+01
                96            97            98            99           100 
      1  -0.722261D+01 -0.179893D+01 -0.315438D+01  0.117967D+01 -0.761244D+00
      2  -0.356463D+01 -0.456446D+01 -0.410276D+01  0.123028D+01  0.946153D+00
      3   0.352474D+01 -0.131218D+02  0.128601D+01  0.592917D+01 -0.685782D+01
               101           102           103           104           105 
      1  -0.772497D+01  0.763607D+01 -0.959833D+01  0.136548D+01 -0.516548D+00
      2  -0.348049D+01  0.475440D+01 -0.322048D+01 -0.108770D+01 -0.798992D+00
      3  -0.635323D+01  0.162301D+01 -0.147694D+00  0.632576D+00  0.935349D+01
               106           107           108           109           110 
      1   0.679017D+01  0.120414D+01 -0.134675D+01  0.666076D+00 -0.250163D+01
      2   0.314781D+00 -0.880621D+00 -0.407959D+00  0.280599D+01  0.158124D+02
      3   0.567414D+01  0.118467D+02 -0.628567D+01 -0.226208D+00 -0.285421D+02
               111           112           113           114           115 
      1  -0.708656D+01  0.350874D+01 -0.153226D+02  0.253386D+01 -0.683726D+01
      2   0.108611D+02  0.893799D+01  0.408901D+01  0.490816D+01  0.121266D+01
      3  -0.116450D+02 -0.890389D+01 -0.884387D+01 -0.801405D+01 -0.677563D+01
               116           117           118           119           120 
      1   0.263037D+02  0.176611D+02 -0.450504D+01  0.100803D+01 -0.312870D+01
      2   0.119662D+01 -0.192831D+01  0.533542D+01 -0.104235D+01  0.538222D+01
      3  -0.228451D+01  0.254352D+01  0.120584D+02 -0.446524D+01  0.503230D+01
               121           122           123           124           125 
      1   0.155342D+01 -0.110613D+01  0.749863D+00 -0.442602D+01  0.225690D+01
      2  -0.190012D+01  0.145925D+01 -0.219890D+01  0.457621D+01 -0.632743D+00
      3  -0.388313D+01  0.708310D+01 -0.300154D+01  0.840240D+01 -0.490328D+01
               126           127           128           129           130 
      1  -0.613890D+01  0.142203D+01  0.908185D+00 -0.350602D+01  0.181808D+01
      2   0.714489D+01 -0.660899D+00 -0.108653D+01  0.349468D+01 -0.170603D+01
      3   0.505980D+01  0.453990D+01 -0.379067D+00 -0.863134D+00  0.755443D+00
               131           132           133           134           135 
      1   0.924788D+00 -0.395453D+01 -0.166647D+01  0.344167D+00  0.523281D+01
      2  -0.227179D+01  0.344820D+01  0.964072D+00  0.186417D+01 -0.480689D+01
      3  -0.562508D+01  0.862815D+00  0.129226D+01  0.391935D+01  0.146349D+00
               136           137           138           139           140 
      1   0.471954D+01 -0.350525D+01  0.513301D+01 -0.243626D+01  0.367949D+01
      2  -0.981602D+00  0.693617D+00  0.324054D+00  0.583438D+00 -0.744825D+00
      3  -0.122800D+02  0.367586D+01 -0.523578D+01  0.429941D+01 -0.695629D+01
               141           142           143           144           145 
      1  -0.389954D+01  0.445235D+01 -0.434111D+01  0.922600D+01 -0.438908D+00
      2   0.201070D+00 -0.225900D+01  0.516360D+00 -0.169836D+01 -0.378070D+00
      3   0.279212D+01 -0.844987D+01  0.478465D+01 -0.508455D+01  0.318879D+01
               146           147           148           149           150 
      1  -0.203143D+01 -0.185194D+01 -0.844705D+00 -0.341871D+01 -0.668203D+01
      2   0.419158D-01  0.855895D+00 -0.479207D+00  0.102950D+01  0.194257D+01
      3   0.377684D+01  0.102370D+01  0.503042D+01 -0.205250D+01 -0.335956D+00
               151           152           153           154           155 
      1  -0.425500D+00 -0.215802D+01 -0.660052D+01  0.467534D+01  0.352195D+01
      2  -0.140937D+01  0.306689D+00  0.203460D+01  0.980016D+00  0.705761D+00
      3   0.255557D+01  0.308628D+01 -0.267004D+00  0.122345D+02  0.373236D+01
               156           157           158           159           160 
      1  -0.510801D+01  0.244890D+01  0.370840D+01 -0.393885D+01 -0.440826D+01
      2   0.312872D+00  0.595043D+00  0.754928D+00 -0.215390D+00 -0.225835D+01
      3  -0.520528D+01  0.434781D+01  0.701575D+01 -0.281339D+01 -0.841543D+01
               161           162           163           164           165 
      1  -0.437609D+01  0.919836D+01 -0.460233D+00  0.204531D+01  0.189033D+01
      2  -0.544409D+00  0.172331D+01  0.381426D+00  0.524718D-01  0.874615D+00
      3  -0.482595D+01  0.506738D+01 -0.323696D+01  0.376170D+01  0.103195D+01
               166           167           168           169           170 
      1   0.872111D+00 -0.342475D+01 -0.667093D+01  0.455914D+00 -0.217269D+01
      2  -0.469133D+00 -0.104975D+01 -0.196629D+01 -0.140885D+01 -0.317759D+00
      3   0.500070D+01  0.207745D+01  0.332044D+00  0.258106D+01 -0.308896D+01
               171           172           173           174           175 
      1  -0.663311D+01 -0.447050D+01 -0.102037D+01  0.309707D+01 -0.156156D+01
      2  -0.207196D+01 -0.533604D+01 -0.107111D+01  0.537640D+01 -0.192532D+01
      3   0.250899D+00 -0.120443D+02 -0.451421D+01  0.502427D+01 -0.392528D+01
               176           177           178           179           180 
      1  -0.111990D+01  0.762949D+00  0.438471D+01  0.228920D+01 -0.609740D+01
      2  -0.148501D+01  0.223422D+01  0.457756D+01  0.673994D+00 -0.714897D+01
      3  -0.715438D+01  0.302964D+01  0.837814D+01  0.495151D+01 -0.506107D+01
               181           182           183           184           185 
      1   0.142350D+01 -0.900766D+00  0.350381D+01 -0.180632D+01  0.898302D+00
      2   0.670010D+00 -0.109240D+01  0.351665D+01 -0.171354D+01  0.225430D+01
      3  -0.454946D+01 -0.420383D+00 -0.856889D+00  0.715828D+00  0.562563D+01
               186           187           188           189           190 
      1  -0.392974D+01  0.165351D+01  0.358553D+00  0.520534D+01  0.459603D+01
      2  -0.344791D+01  0.963628D+00 -0.184466D+01  0.481289D+01 -0.323384D+01
      3  -0.860541D+00  0.129887D+01 -0.389506D+01 -0.148771D+00 -0.729405D+01
               191           192           193           194           195 
      1   0.413453D+01  0.319410D+01  0.429109D+01  0.561501D+01  0.195036D+01
      2  -0.105932D+01  0.673500D+00 -0.456829D+01  0.475974D+00 -0.424897D+00
      3  -0.594638D+01 -0.356051D+01 -0.636206D+01 -0.666891D+01 -0.354025D+01
               196           197           198           199           200 
      1   0.219664D+01  0.223357D+01  0.275441D+01  0.155922D+01 -0.178761D+01
      2   0.629146D+00  0.581546D+00  0.121909D+01 -0.370977D+00  0.238791D+01
      3  -0.208356D+01 -0.834840D+00 -0.301778D+01 -0.200849D+01  0.241900D+01
               201           202           203           204           205 
      1  -0.675856D+00  0.431040D+00 -0.518610D+00 -0.680708D+00 -0.948757D-02
      2  -0.561908D+01  0.149278D+01  0.178047D+01 -0.281744D+01 -0.169307D+01
      3  -0.275321D+01  0.133689D+01  0.139475D+01 -0.187810D+01 -0.226365D+00
               206           207           208           209           210 
      1   0.142879D+01  0.414798D+01 -0.303268D+01  0.312128D+01 -0.191030D+01
      2  -0.291344D+01  0.117965D+02 -0.835482D+01 -0.363423D+01 -0.320330D+01
      3  -0.235204D+01  0.245715D+01  0.122528D+02  0.338312D+01  0.562119D+01
               211           212           213           214           215 
      1   0.188450D+00 -0.754738D+00 -0.162959D+01 -0.239498D+01 -0.566739D+00
      2  -0.189350D+01 -0.107539D+01 -0.114098D+01 -0.255019D+01 -0.487015D+00
      3   0.296897D+01  0.199272D+01  0.135974D+01  0.227475D+01  0.140397D+01
               216           217           218           219           220 
      1  -0.244610D+01 -0.234157D+01 -0.407626D+00  0.504311D+01 -0.338513D+00
      2  -0.187039D+01  0.191667D+01 -0.156959D+01 -0.163305D+01  0.659436D+00
      3   0.305597D+01 -0.236997D+01  0.112613D+01  0.306332D+01  0.371167D-02
               221           222           223           224           225 
      1   0.629313D+00  0.281223D+01  0.233843D+01  0.931244D-01 -0.120304D+02
      2  -0.199792D+01 -0.129676D+01 -0.261408D+01  0.645952D+00  0.192875D+01
      3   0.288095D+01  0.139362D+01  0.226512D+01 -0.103023D+01 -0.256639D+01
               226           227           228           229           230 
      1   0.364341D+00 -0.873597D+00  0.747741D+00  0.215254D+01 -0.102872D+02
      2   0.128377D+01  0.722393D+00  0.150708D+01  0.290672D+01  0.557652D+00
      3   0.705145D+00  0.445791D+00 -0.469659D+00  0.118659D+01  0.125123D+02
               231           232           233           234           235 
      1  -0.356362D-01  0.217336D+01 -0.215975D+01  0.609932D-01 -0.143580D+01
      2  -0.955063D+00  0.196640D+01 -0.189173D+01  0.929666D+00  0.152776D+01
      3  -0.145632D+01  0.371146D+00  0.193743D+01  0.572690D+00  0.166873D+01
               236           237           238           239           240 
      1   0.676967D+00 -0.177900D+01  0.814349D+00  0.110369D+00  0.166445D+01
      2   0.110867D+01 -0.252554D+01 -0.393173D+00  0.161317D+01  0.712975D+00
      3  -0.736528D+00 -0.402868D+00 -0.569470D-01  0.645481D+00 -0.173758D+01
               241           242           243           244           245 
      1   0.151701D+01  0.682187D+00  0.708961D+01 -0.304509D+01 -0.310521D+01
      2  -0.165634D+01 -0.269435D+01  0.142097D+02  0.835023D+01 -0.362708D+01
      3  -0.238134D+01 -0.145268D+01  0.144025D+01 -0.122616D+02  0.335208D+01
               246           247           248           249           250 
      1   0.193751D+01 -0.187283D+00 -0.771672D+00 -0.162872D+01  0.240863D+01
      2  -0.319935D+01 -0.186882D+01  0.105140D+01  0.112552D+01 -0.254236D+01
      3   0.562764D+01  0.293185D+01 -0.197809D+01 -0.134405D+01  0.228174D+01
               251           252           253           254           255 
      1  -0.559807D+00 -0.245671D+01 -0.234418D+01  0.401911D+00 -0.506189D+01
      2   0.484347D+00  0.186528D+01 -0.193106D+01 -0.158515D+01 -0.165564D+01
      3  -0.140809D+01 -0.306527D+01  0.237828D+01  0.114926D+01  0.307739D+01
               256           257           258           259           260 
      1   0.324709D+00  0.608670D+00  0.277364D+01 -0.234034D+01  0.727545D-01
      2   0.644365D+00  0.199673D+01  0.129757D+01 -0.262326D+01 -0.659303D+00
      3   0.198676D-01 -0.287090D+01 -0.138199D+01  0.226809D+01  0.104207D+01
               261           262           263           264           265 
      1  -0.120205D+02  0.461450D+01 -0.413987D+01 -0.318153D+01 -0.427348D+01
      2  -0.197430D+01  0.328062D+01 -0.107631D+01  0.665837D+00 -0.458763D+01
      3   0.257946D+01  0.735609D+01 -0.597635D+01 -0.355585D+01 -0.637808D+01
               266           267           268           269           270 
      1   0.560224D+01  0.191524D+01 -0.218550D+01  0.221143D+01  0.272977D+01
      2  -0.452401D+00  0.431126D+00  0.639700D+00 -0.571181D+00 -0.120490D+01
      3   0.666934D+01  0.350499D+01 -0.206452D+01  0.808559D+00  0.299808D+01
               271           272           273           274           275 
      1   0.153977D+01  0.177603D+01  0.697240D+00 -0.431228D+00 -0.502256D+00
      2   0.382180D+00  0.239307D+01 -0.561622D+01  0.149398D+01 -0.175837D+01
      3   0.200494D+01  0.241792D+01 -0.274287D+01  0.134207D+01 -0.136927D+01
               276           277           278           279           280 
      1  -0.682018D+00  0.859846D-02  0.142857D+01  0.420126D+01  0.773165D+00
      2   0.277459D+01 -0.168127D+01  0.290174D+01 -0.118187D+02  0.400369D+01
      3   0.186077D+01 -0.224030D+00  0.235216D+01 -0.244024D+01 -0.290217D+01
               281           282           283           284           285 
      1   0.727022D-01  0.144125D+00  0.134989D+01  0.526357D+01  0.655758D+00
      2  -0.551422D+00  0.341860D+00 -0.506228D+00  0.619485D+01  0.823020D+01
      3  -0.879276D+00 -0.511659D+00 -0.141060D+01 -0.161536D+02 -0.754605D+01
               286           287           288           289           290 
      1   0.136529D+00  0.299208D+01  0.118860D+01 -0.123479D+01  0.152845D+01
      2  -0.360165D+00  0.524852D+01  0.634128D+01 -0.141165D+01 -0.174732D+00
      3  -0.120375D+01 -0.579797D+01 -0.589921D+01  0.422284D+01 -0.631902D+01
               291           292           293           294           295 
      1  -0.583610D-01  0.168770D+01 -0.139888D+01 -0.698242D-01 -0.196742D-01
      2   0.567890D+01  0.435979D+01  0.114744D+01 -0.122597D+01  0.251313D+01
      3   0.191858D+01 -0.309423D+01  0.464541D+01 -0.336653D+01 -0.280472D+00
               296           297           298           299           300 
      1   0.130957D+01  0.538270D-01 -0.123196D+01 -0.152356D+01  0.337994D-01
      2  -0.160977D+01  0.276570D+01  0.139138D+01 -0.169216D+00  0.567281D+01
      3  -0.311361D+01  0.101151D+01 -0.421409D+01 -0.633268D+01  0.190464D+01
               301           302           303           304           305 
      1  -0.171017D+01 -0.140695D+01 -0.800370D-01  0.111726D-01  0.129762D+01
      2   0.438048D+01 -0.113029D+01  0.125258D+01  0.251057D+01  0.162401D+01
      3  -0.311443D+01 -0.470321D+01  0.337068D+01 -0.285192D+00  0.310660D+01
               306           307           308           309           310 
      1   0.617042D-01  0.787058D+00 -0.998582D-01 -0.149219D+00 -0.137300D+01
      2  -0.274228D+01 -0.399261D+01 -0.528690D+00  0.387113D+00 -0.481141D+00
      3  -0.101504D+01  0.290092D+01 -0.962974D+00 -0.552534D+00 -0.150341D+01
               311           312           313           314           315 
      1   0.526318D+01  0.672048D+00 -0.151012D+00  0.300301D+01  0.120190D+01
      2  -0.616637D+01 -0.822596D+01 -0.324915D+00 -0.523226D+01 -0.633541D+01
      3   0.161482D+02  0.753902D+01 -0.123528D+01  0.579499D+01  0.589440D+01
               316           317           318           319           320 
      1  -0.142352D+01 -0.687313D+00  0.177505D+01 -0.827558D+00  0.114791D+00
      2  -0.152599D+01  0.109469D+01 -0.250211D+01 -0.399863D+00 -0.160652D+01
      3  -0.167263D+01 -0.748902D+00 -0.395685D+00 -0.754446D-01 -0.640787D+00
               321           322           323           324           325 
      1   0.168996D+01 -0.152040D+01  0.672409D+00  0.714914D+01  0.385146D+00
      2  -0.744687D+00 -0.165640D+01  0.266861D+01 -0.141884D+02 -0.130848D+01
      3   0.173986D+01 -0.238871D+01  0.143674D+01 -0.141064D+01 -0.698556D+00
               326           327           328           329           330 
      1   0.911539D+00 -0.750747D+00 -0.213574D+01 -0.102848D+02 -0.214421D-01
      2   0.720556D+00  0.150229D+01  0.290181D+01 -0.599514D+00  0.964429D+00
      3   0.492623D+00 -0.482131D+00  0.120465D+01 -0.125064D+02  0.148288D+01
               331           332           333 
      1  -0.216621D+01 -0.215384D+01  0.617032D-01
      2   0.194817D+01  0.189250D+01 -0.935951D+00
      3   0.366427D+00 -0.191343D+01 -0.575331D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.260509D+02  0.263195D+02 -0.227603D+02  0.318864D+02 -0.361573D+01
      2   0.168865D+02 -0.151834D+02  0.114756D+02 -0.185734D+02  0.351271D+01
      3   0.916444D+01 -0.111361D+02  0.112848D+02 -0.133130D+02  0.103020D+00
      4   0.235966D+02 -0.680454D+01  0.423023D+01 -0.907948D+01 -0.112208D+02
      5  -0.226223D+02  0.570222D+01 -0.822046D+01  0.101485D+02 -0.187331D+02
      6   0.755706D+01 -0.770717D+00 -0.664017D+00 -0.469145D+01 -0.492104D+01
                 6             7             8             9            10 
      1   0.783042D+01 -0.148421D+02  0.530087D+01 -0.436569D+01 -0.256794D+02
      2  -0.479903D+01  0.649375D+01 -0.336949D+01  0.269877D+00  0.165616D+02
      3  -0.303139D+01  0.834830D+01 -0.193138D+01  0.409582D+01  0.911780D+01
      4  -0.161613D+02  0.463657D+01 -0.136451D+02 -0.339320D+01 -0.237230D+02
      5  -0.539120D+01 -0.792536D+01 -0.349295D+01  0.263861D+01  0.224710D+02
      6  -0.631543D+01  0.158271D+00 -0.558915D+01 -0.160679D+01  0.758799D+01
                11            12            13            14            15 
      1  -0.263586D+02  0.226875D+02 -0.319730D+02 -0.405672D+01  0.771443D+01
      2   0.151649D+02 -0.113921D+02  0.185827D+02  0.377230D+01 -0.469297D+01
      3   0.111937D+02 -0.112954D+02  0.133903D+02  0.284413D+00 -0.302146D+01
      4  -0.716918D+01  0.423702D+01 -0.951660D+01  0.111373D+02  0.162344D+02
      5   0.562886D+01 -0.813940D+01  0.100644D+02  0.188257D+02  0.540614D+01
      6   0.849924D+00  0.687616D+00  0.479810D+01 -0.481711D+01 -0.626798D+01
                16            17            18            19            20 
      1   0.147449D+02  0.516462D+01 -0.430110D+01  0.199008D+02  0.137984D+02
      2  -0.640333D+01 -0.325134D+01  0.255624D+00 -0.196757D+02 -0.100633D+02
      3  -0.834161D+01 -0.191328D+01  0.404548D+01 -0.225147D+00 -0.373501D+01
      4   0.459684D+01  0.137005D+02  0.339407D+01  0.520887D+01 -0.939387D+00
      5  -0.787108D+01  0.350702D+01 -0.266195D+01 -0.124954D+02 -0.334032D+01
      6  -0.133789D+00 -0.556912D+01 -0.160449D+01 -0.777197D+01  0.135494D+01
                21            22            23            24            25 
      1  -0.134159D+02  0.556949D+01  0.332729D+01  0.166171D+01 -0.553275D+01
      2   0.123565D+02 -0.447647D+01 -0.977936D+01  0.548976D+00  0.590894D+01
      3   0.105947D+01 -0.109303D+01  0.645207D+01 -0.221069D+01 -0.376192D+00
      4  -0.101832D+01 -0.918449D+00 -0.126806D+02 -0.128151D+01 -0.896878D+00
      5   0.803584D+01 -0.167572D+01 -0.251605D+01  0.162013D+01  0.557673D+01
      6   0.162207D+01  0.191135D+00  0.501840D+01  0.313721D+01  0.224164D+00
                26            27            28            29            30 
      1  -0.614206D+00  0.117861D+02 -0.121216D+02 -0.556266D-02  0.221398D-01
      2  -0.630451D+00  0.446870D+01  0.260842D+01  0.276837D-03 -0.268986D-01
      3   0.124466D+01 -0.162548D+02  0.951314D+01  0.528583D-02  0.475888D-02
      4   0.605776D+00 -0.176795D+01 -0.570457D-03 -0.635002D+01 -0.496824D+01
      5  -0.480108D+00  0.778697D+01  0.187253D-01 -0.290838D+01 -0.211280D+01
      6   0.278449D+01  0.305168D+01 -0.261266D+01 -0.535738D-02  0.628584D-02
                31            32            33            34            35 
      1  -0.145034D-01  0.241984D+01 -0.527610D+01  0.175996D-01 -0.815788D+01
      2   0.120509D-01 -0.112534D+02  0.656401D+01 -0.228203D-01  0.892115D+01
      3   0.245242D-02  0.883360D+01 -0.128791D+01  0.522074D-02 -0.763274D+00
      4  -0.790778D+01  0.314232D-02 -0.244064D-01 -0.833404D+01 -0.159693D-01
      5  -0.268234D+01 -0.647193D-02 -0.678233D-02  0.504717D+01 -0.394401D-02
      6  -0.497403D-02  0.349818D+01 -0.190334D+01  0.883366D-02  0.381362D+01
                36            37            38            39            40 
      1  -0.140523D+00 -0.835326D+01  0.145309D+01  0.109435D+02  0.465784D+00
      2  -0.198796D+00  0.129632D+02 -0.343113D+01 -0.826273D+01  0.153660D+01
      3   0.339319D+00 -0.460993D+01  0.197803D+01 -0.268082D+01 -0.200238D+01
      4  -0.440747D-02  0.128796D+02  0.759305D+01 -0.889817D+01  0.120292D+02
      5   0.134103D-01  0.288725D+01 -0.120220D+02  0.228649D+01 -0.115898D+02
      6  -0.759116D+00 -0.423661D+01 -0.568542D+01  0.686906D+01 -0.485211D+01
                41            42            43            44            45 
      1  -0.675589D+01 -0.534894D+01  0.923753D+01 -0.550540D+01  0.646524D+01
      2   0.632930D+01 -0.484549D+01 -0.486974D+01 -0.767688D+00  0.306972D+01
      3   0.426595D+00  0.101944D+02 -0.436779D+01  0.627309D+01 -0.953496D+01
      4   0.109855D+02 -0.104161D+02 -0.283928D+01 -0.604579D+01  0.296396D+01
      5  -0.522260D+01  0.387158D+01  0.120216D+01  0.111641D+01  0.193858D+01
      6  -0.358994D+01  0.943769D+00  0.431740D+01 -0.363323D+00  0.698264D+01
                46            47            48            49            50 
      1  -0.867101D+01  0.156532D+01 -0.136939D+02  0.233728D+01 -0.128877D+01
      2   0.228774D+01 -0.247496D+01  0.179529D+02 -0.786955D+01 -0.456244D+00
      3   0.638327D+01  0.909647D+00 -0.425901D+01  0.553226D+01  0.174501D+01
      4  -0.146085D+02 -0.899925D+01  0.921295D+01 -0.167884D+02 -0.132378D+02
      5  -0.310755D+01  0.136604D+02 -0.920687D+01  0.145560D+02  0.135923D+02
      6   0.243132D+01  0.156272D+02 -0.102201D+02  0.160953D+02  0.132646D+02
                51            52            53            54            55 
      1   0.603382D+01 -0.160270D+02  0.707417D+01 -0.937445D+01  0.457621D+01
      2   0.789541D+01  0.200231D+02  0.528032D+01  0.465675D+01 -0.479932D+01
      3  -0.139292D+02 -0.399610D+01 -0.123545D+02  0.471770D+01  0.223102D+00
      4   0.214587D+02  0.134777D+02  0.248936D+02 -0.118357D+02  0.313979D+01
      5  -0.206791D+01 -0.137075D+02 -0.452525D+01  0.150940D+01  0.123894D+01
      6  -0.547269D+01 -0.128438D+02 -0.577790D+01  0.256217D+01  0.469644D+01
                56            57            58            59            60 
      1   0.497232D+01  0.107496D+02  0.206066D+01  0.189833D+02  0.400364D+01
      2  -0.822701D+01 -0.203320D+02 -0.745167D+00 -0.286627D+02 -0.154363D+02
      3   0.325469D+01  0.958236D+01 -0.131549D+01  0.967946D+01  0.114327D+02
      4  -0.990288D+01  0.189046D-01 -0.360147D+01 -0.129577D+02 -0.212251D+02
      5  -0.325388D+01 -0.895298D+00 -0.349819D+01 -0.957858D+01 -0.448423D+01
      6  -0.187738D+02  0.377007D+01 -0.178855D+02 -0.212656D+02 -0.120311D+02
                61            62            63            64            65 
      1   0.134650D+02  0.874568D+01  0.108306D+02  0.220281D+01 -0.610358D+01
      2  -0.215950D+02 -0.194610D+02 -0.148485D+02 -0.105966D+01  0.641039D+01
      3   0.812998D+01  0.107153D+02  0.401784D+01 -0.114316D+01 -0.306808D+00
      4   0.186119D+01 -0.245862D+02  0.136152D+01  0.841465D+01  0.208959D+01
      5  -0.278889D+00 -0.393646D+01 -0.138689D+01  0.295379D+01 -0.299314D+01
      6   0.428633D+01 -0.174542D+02 -0.133283D+01 -0.692843D+01  0.875542D+01
                66            67            68            69            70 
      1  -0.126837D+01 -0.578223D+01 -0.120179D+02 -0.509490D+01 -0.241955D+01
      2   0.113420D+02  0.245711D+01  0.150588D+02  0.802191D+01  0.100129D+02
      3  -0.100736D+02  0.332512D+01 -0.304093D+01 -0.292701D+01 -0.759339D+01
      4  -0.278297D+01 -0.208938D+01  0.178690D+02  0.127131D+02 -0.312541D+01
      5  -0.372649D+01 -0.199724D+01  0.183788D+01  0.286088D+01 -0.246869D+01
      6   0.120723D+00  0.946265D+01  0.126793D+02  0.612605D+01 -0.146374D+01
                71            72            73            74            75 
      1  -0.197247D+01  0.126481D+01  0.199793D+02 -0.137380D+02  0.133752D+02
      2   0.120374D+01  0.690914D+01 -0.197208D+02  0.100400D+02 -0.123603D+02
      3   0.768732D+00 -0.817394D+01 -0.258510D+00  0.369799D+01 -0.101489D+01
      4   0.617271D+01 -0.764255D+00 -0.502939D+01 -0.111272D+01 -0.933793D+00
      5   0.173878D+01 -0.551870D+01  0.125325D+02 -0.332398D+01  0.808008D+01
      6   0.289999D+01 -0.523092D+01 -0.770933D+01 -0.141514D+01 -0.162439D+01
                76            77            78            79            80 
      1  -0.548846D+01  0.311858D+01  0.168198D+01  0.552595D+01 -0.629811D+00
      2   0.442249D+01 -0.961974D+01  0.458931D+00 -0.591757D+01 -0.693472D+00
      3   0.106597D+01  0.650116D+01 -0.214091D+01  0.391619D+00  0.132328D+01
      4  -0.104549D+01  0.127193D+02  0.129820D+01 -0.860593D+00 -0.593203D+00
      5  -0.163604D+01  0.249275D+01 -0.156367D+01  0.559766D+01  0.518858D+00
      6  -0.252094D+00  0.498870D+01  0.312535D+01 -0.223163D+00  0.277035D+01
                81            82            83            84            85 
      1   0.118383D+02 -0.820586D+01 -0.144751D+01 -0.109051D+02 -0.492825D+00
      2   0.444172D+01  0.128531D+02  0.349812D+01  0.827842D+01 -0.142361D+01
      3  -0.162800D+02 -0.464720D+01 -0.205061D+01  0.262670D+01  0.191643D+01
      4   0.181702D+01 -0.130174D+02  0.760372D+01 -0.902229D+01  0.120363D+02
      5  -0.777042D+01 -0.281375D+01 -0.120891D+02  0.226274D+01 -0.116426D+02
      6   0.308367D+01 -0.427671D+01  0.569054D+01 -0.689466D+01  0.483806D+01
                86            87            88            89            90 
      1  -0.667116D+01 -0.548870D+01 -0.923899D+01 -0.562156D+01  0.643120D+01
      2   0.628733D+01 -0.472716D+01  0.489090D+01 -0.669628D+00  0.301374D+01
      3   0.383825D+00  0.102159D+02  0.434810D+01  0.629119D+01 -0.944494D+01
      4  -0.110055D+02  0.103965D+02 -0.291602D+01  0.602344D+01 -0.295192D+01
      5   0.513781D+01 -0.389997D+01  0.116097D+01 -0.113731D+01 -0.194578D+01
      6  -0.354289D+01  0.868639D+00 -0.434032D+01 -0.407416D+00  0.696477D+01
                91            92            93            94            95 
      1  -0.878535D+01 -0.160495D+01  0.136011D+02 -0.228940D+01 -0.142592D+01
      2   0.236292D+01  0.251320D+01 -0.179507D+02  0.781168D+01 -0.360830D+00
      3   0.642243D+01 -0.908249D+00  0.434959D+01 -0.552228D+01  0.178675D+01
      4   0.146443D+02 -0.904354D+01  0.945423D+01 -0.168495D+02  0.132412D+02
      5   0.298426D+01  0.138092D+02 -0.920141D+01  0.146978D+02 -0.135229D+02
      6   0.257960D+01 -0.156523D+02  0.101547D+02 -0.161023D+02  0.131034D+02
                96            97            98            99           100 
      1   0.627896D+01  0.159068D+02  0.735751D+01 -0.941629D+01  0.464396D+01
      2   0.765717D+01 -0.199620D+02  0.499209D+01  0.474534D+01 -0.488833D+01
      3  -0.139361D+02  0.405523D+01 -0.123496D+02  0.467095D+01  0.244372D+00
      4  -0.214451D+02  0.137321D+02 -0.248371D+02  0.117038D+02 -0.302900D+01
      5   0.203695D+01 -0.137075D+02  0.445421D+01 -0.153271D+01 -0.122683D+01
      6  -0.538765D+01  0.127469D+02 -0.567374D+01  0.256694D+01  0.451077D+01
               101           102           103           104           105 
      1  -0.489395D+01 -0.107832D+02 -0.202156D+01  0.187768D+02  0.375807D+01
      2   0.812460D+01  0.204347D+02  0.682840D+00 -0.283350D+02 -0.150931D+02
      3  -0.323065D+01 -0.965141D+01  0.133872D+01  0.955813D+01  0.113350D+02
      4  -0.100638D+02 -0.228527D+00 -0.368030D+01  0.129495D+02  0.213125D+02
      5  -0.338743D+01 -0.930094D+00 -0.361967D+01  0.962848D+01  0.456064D+01
      6   0.189188D+02 -0.362559D+01  0.179957D+02 -0.210234D+02 -0.120985D+02
               106           107           108           109           110 
      1  -0.135303D+02  0.847955D+01  0.108533D+02  0.220327D+01  0.612756D+01
      2   0.217193D+02 -0.191166D+02 -0.149216D+02 -0.109542D+01 -0.641432D+01
      3  -0.818897D+01  0.106371D+02  0.406833D+01 -0.110786D+01  0.286763D+00
      4   0.158520D+01  0.247438D+02 -0.115344D+01 -0.839408D+01  0.217516D+01
      5  -0.300713D+00  0.405756D+01  0.141782D+01 -0.292821D+01 -0.295644D+01
      6  -0.410862D+01 -0.175551D+02 -0.141563D+01 -0.684632D+01 -0.884548D+01
               111           112           113           114           115 
      1   0.130074D+01  0.583568D+01 -0.117893D+02 -0.499427D+01  0.245324D+01
      2  -0.113771D+02 -0.250269D+01  0.148001D+02  0.783875D+01 -0.100380D+02
      3   0.100763D+02 -0.333299D+01 -0.301075D+01 -0.284448D+01  0.758479D+01
      4  -0.266219D+01 -0.202630D+01 -0.179409D+02 -0.127597D+02 -0.303584D+01
      5  -0.368944D+01 -0.196615D+01 -0.188919D+01 -0.290069D+01 -0.244745D+01
      6  -0.188713D+00 -0.953489D+01  0.126030D+02  0.615040D+01  0.141252D+01
               116           117           118           119           120 
      1  -0.192994D+01  0.125749D+01  0.321433D+02 -0.232793D+01  0.105778D+02
      2   0.110729D+01  0.696090D+01 -0.182651D+02  0.515630D+01 -0.743454D+01
      3   0.822646D+00 -0.821839D+01 -0.138782D+02 -0.282837D+01 -0.314327D+01
      4  -0.621894D+01  0.704500D+00  0.165514D+02  0.740547D+01  0.329795D+01
      5  -0.176776D+01  0.552294D+01  0.107553D+02 -0.173424D+01  0.947908D+01
      6   0.294051D+01 -0.517655D+01  0.512172D+01 -0.664616D+00  0.536450D+01
               121           122           123           124           125 
      1  -0.832648D+01  0.642651D+01 -0.424528D+01  0.172733D+02 -0.306001D+01
      2   0.744054D+01 -0.586552D+01  0.273558D+01 -0.128205D+02  0.465202D+01
      3   0.885935D+00 -0.560987D+00  0.150969D+01 -0.445271D+01 -0.159201D+01
      4   0.381323D+01 -0.346716D+00  0.241051D+00  0.743492D+01  0.220900D+01
      5  -0.333168D+01  0.255233D+01 -0.225854D+01  0.135706D+02  0.173226D+00
      6  -0.166554D+01  0.638928D+00  0.334982D+00  0.785857D+01  0.204499D+01
               126           127           128           129           130 
      1   0.941226D+01  0.145359D+02  0.698953D+01 -0.383670D+01  0.228793D+01
      2  -0.785605D+01  0.224261D+00  0.473301D+01 -0.965183D+00  0.111225D+02
      3  -0.155620D+01 -0.147602D+02 -0.117225D+02  0.480188D+01 -0.134105D+02
      4   0.572959D+01  0.295976D+02  0.240176D+02 -0.128164D+02  0.263660D+02
      5   0.126362D+02 -0.115176D+02 -0.954481D+01  0.100689D+02 -0.903564D+01
      6   0.790067D+01 -0.112946D+02 -0.970634D+01  0.843363D+01 -0.121143D+02
               131           132           133           134           135 
      1  -0.638744D+01  0.143018D+01 -0.238567D+01  0.159483D+01 -0.264694D-01
      2   0.242172D+02 -0.760856D+01 -0.355964D+01 -0.851262D+01  0.242224D+01
      3  -0.178297D+02  0.617838D+01  0.594531D+01  0.691779D+01 -0.239577D+01
      4   0.333204D+02 -0.148333D+02 -0.201737D+02 -0.207377D+02  0.174676D+02
      5  -0.116303D+02  0.795257D+01  0.152105D+02  0.125631D+02 -0.149853D+02
      6  -0.173059D+02  0.126434D+02  0.148728D+02  0.171214D+02 -0.175704D+02
               136           137           138           139           140 
      1  -0.549356D+01  0.859862D+01 -0.379653D+01  0.507609D+01 -0.162594D+02
      2   0.827845D+01 -0.154505D+02  0.647672D+01 -0.834591D+01  0.269685D+02
      3  -0.278488D+01  0.685185D+01 -0.268018D+01  0.326982D+01 -0.107091D+02
      4  -0.147915D+02  0.840247D+01 -0.614164D+01  0.641103D+01 -0.483549D+01
      5   0.152734D+01 -0.389819D+00  0.147527D+01 -0.406009D+00  0.987349D+00
      6  -0.758737D+01  0.683440D+01 -0.749705D+01  0.455223D+01 -0.725393D+01
               141           142           143           144           145 
      1   0.464373D+01 -0.665535D+01  0.969247D+01 -0.870112D+01 -0.204252D+01
      2  -0.636196D+01  0.724044D+01 -0.136971D+02  0.962547D+01  0.854561D+01
      3   0.171823D+01 -0.585088D+00  0.400459D+01 -0.924350D+00 -0.650309D+01
      4   0.384913D+01 -0.870720D+01  0.610689D+01 -0.503395D+01  0.122885D+02
      5   0.415601D+00  0.180901D+01  0.523997D+00 -0.189590D+00  0.335475D+01
      6   0.828167D+01 -0.710536D+01  0.142563D+02 -0.155246D+02  0.572287D+01
               146           147           148           149           150 
      1  -0.256003D+01 -0.176642D+01 -0.409517D+01 -0.334279D+02 -0.115005D+02
      2   0.115173D+02  0.472375D+01  0.113378D+02  0.619509D+02  0.190549D+02
      3  -0.895724D+01 -0.295733D+01 -0.724259D+01 -0.285230D+02 -0.755439D+01
      4   0.195197D+02  0.668951D+01  0.134353D+02  0.267296D+02  0.966287D+01
      5   0.533202D+01  0.453645D+01  0.313260D+01  0.909400D+01  0.507879D+01
      6   0.806243D+01  0.457373D+01  0.729961D+01  0.270962D+02  0.169220D+02
               151           152           153           154           155 
      1  -0.322982D+01 -0.179219D+02 -0.126282D+02 -0.557537D+01 -0.864940D+01
      2   0.629082D+01  0.272871D+02  0.156669D+02  0.835279D+01  0.155059D+02
      3  -0.306100D+01 -0.936515D+01 -0.303866D+01 -0.277742D+01 -0.685648D+01
      4   0.705138D+01  0.159441D+02  0.915010D+01  0.146771D+02  0.839027D+01
      5   0.443191D+01  0.818572D+01  0.698389D+01 -0.147993D+01 -0.363314D+00
      6   0.606013D+01  0.263835D+02  0.200446D+02 -0.752454D+01 -0.683410D+01
               156           157           158           159           160 
      1   0.382121D+01 -0.510912D+01 -0.164270D+02  0.469293D+01  0.668327D+01
      2  -0.650847D+01  0.836575D+01  0.272456D+02 -0.644132D+01 -0.727126D+01
      3   0.268726D+01 -0.325664D+01 -0.108186D+02  0.174840D+01  0.587993D+00
      4  -0.606807D+01  0.642690D+01  0.475663D+01 -0.383090D+01 -0.861021D+01
      5   0.144219D+01 -0.386495D+00 -0.956281D+00 -0.450409D+00  0.177605D+01
      6   0.744340D+01 -0.455454D+01 -0.731408D+01  0.832836D+01  0.702745D+01
               161           162           163           164           165 
      1   0.978559D+01 -0.872980D+01 -0.196811D+01  0.253801D+01  0.176960D+01
      2  -0.138308D+02  0.969409D+01  0.852438D+01 -0.115689D+02 -0.476625D+01
      3   0.404517D+01 -0.964287D+00 -0.655627D+01  0.903089D+01  0.299665D+01
      4  -0.605456D+01  0.493832D+01 -0.124837D+02  0.196376D+02  0.679075D+01
      5  -0.579495D+00  0.251624D+00 -0.343734D+01  0.541509D+01  0.460427D+01
      6   0.142930D+02 -0.154724D+02  0.580574D+01 -0.817188D+01 -0.466850D+01
               166           167           168           169           170 
      1   0.410403D+01 -0.330742D+02 -0.114242D+02  0.325327D+01 -0.178021D+02
      2  -0.114077D+02  0.613875D+02  0.189508D+02 -0.635248D+01  0.271322D+02
      3   0.730366D+01 -0.283132D+02 -0.752669D+01  0.309920D+01 -0.933013D+01
      4   0.135378D+02 -0.269034D+02 -0.977775D+01  0.718582D+01 -0.161348D+02
      5   0.319857D+01 -0.918415D+01 -0.514503D+01  0.451387D+01 -0.830676D+01
      6  -0.739731D+01  0.270299D+02  0.169251D+02 -0.619097D+01  0.263935D+02
               171           172           173           174           175 
      1  -0.125888D+02  0.322382D+02  0.241474D+01 -0.105707D+02  0.843598D+01
      2   0.155993D+02 -0.183610D+02 -0.517860D+01  0.744682D+01 -0.748306D+01
      3  -0.301051D+01 -0.138771D+02  0.276387D+01  0.312384D+01 -0.952921D+00
      4  -0.930745D+01 -0.163663D+02  0.736188D+01  0.320448D+01  0.379370D+01
      5  -0.710906D+01 -0.107327D+02 -0.178715D+01  0.947333D+01 -0.337617D+01
      6   0.201264D+02  0.505429D+01  0.683790D+00 -0.531447D+01  0.168051D+01
               176           177           178           179           180 
      1   0.649031D+01 -0.428800D+01 -0.172910D+02 -0.312733D+01  0.943813D+01
      2  -0.594034D+01  0.275836D+01  0.128521D+02  0.469105D+01 -0.789011D+01
      3  -0.549966D+00  0.152963D+01  0.443885D+01 -0.156372D+01 -0.154802D+01
      4   0.464211D+00 -0.247223D+00  0.728325D+01 -0.219467D+01 -0.562873D+01
      5  -0.257600D+01  0.230353D+01  0.135696D+02 -0.103300D+00 -0.126269D+02
      6   0.627445D+00  0.309030D+00 -0.778740D+01  0.200156D+01  0.782252D+01
               181           182           183           184           185 
      1   0.147938D+02 -0.708543D+01  0.392003D+01 -0.240181D+01 -0.618015D+01
      2   0.837288D-01 -0.467389D+01  0.911294D+00 -0.110471D+02  0.239665D+02
      3  -0.148776D+02  0.117593D+02 -0.483132D+01  0.134489D+02 -0.177863D+02
      4  -0.297541D+02  0.240595D+02 -0.128627D+02  0.264469D+02 -0.333031D+02
      5   0.116151D+02 -0.958237D+01  0.101136D+02 -0.908169D+01  0.116193D+02
      6  -0.113291D+02  0.969729D+01 -0.843286D+01  0.121024D+02 -0.171782D+02
               186           187           188           189           190 
      1   0.132762D+01  0.251916D+01  0.144193D+01  0.973620D-01  0.205512D+02
      2  -0.749528D+01  0.345458D+01 -0.834505D+01  0.230857D+01 -0.167968D+02
      3   0.616766D+01 -0.597374D+01  0.690312D+01 -0.240593D+01 -0.375442D+01
      4   0.148163D+02 -0.202404D+02  0.206931D+02 -0.174571D+02  0.135748D+01
      5  -0.795616D+01  0.152850D+02 -0.125574D+02  0.150191D+02  0.158914D+02
      6   0.125742D+02 -0.148588D+02  0.170099D+02 -0.174846D+02  0.782295D+00
               191           192           193           194           195 
      1   0.513640D+01  0.794747D+01  0.802897D+01  0.558479D+01  0.389877D+01
      2  -0.678280D+01 -0.954991D+01 -0.892485D+01 -0.617707D+01 -0.627678D+01
      3   0.164640D+01  0.160244D+01  0.895875D+00  0.592279D+00  0.237801D+01
      4   0.640652D+01  0.156691D+01  0.126975D+01  0.752535D+01  0.547684D+00
      5   0.432708D+01  0.107325D+02  0.109774D+02  0.285664D+01  0.765009D+01
      6   0.133909D+01 -0.501153D+00  0.103925D+01  0.268795D+01  0.462778D+00
               196           197           198           199           200 
      1   0.339175D+01  0.128053D+01  0.210116D+01 -0.265812D+01 -0.236356D+01
      2  -0.693971D+01 -0.211002D+01 -0.809461D+01 -0.165518D+01  0.142098D+01
      3   0.354795D+01  0.829496D+00  0.599346D+01  0.431330D+01  0.942587D+00
      4   0.301851D+01  0.274162D+00  0.212626D+01  0.634536D+01 -0.291843D+01
      5   0.800499D+01  0.365235D+01  0.893990D+01 -0.239246D+01  0.211926D+01
      6   0.387555D+00  0.137700D+01 -0.677252D+00 -0.219409D-01 -0.327679D+01
               201           202           203           204           205 
      1   0.719189D+01 -0.393250D+00 -0.514107D+01  0.637295D+01  0.246301D+01
      2   0.104555D+01 -0.449895D+00  0.195473D+01 -0.101978D+01 -0.150040D+01
      3  -0.823744D+01  0.843145D+00  0.318634D+01 -0.535317D+01 -0.962609D+00
      4   0.354105D+00  0.134995D+01 -0.169625D+01  0.561934D+00 -0.314809D+01
      5  -0.189517D+00  0.326178D+00  0.106071D+01 -0.178734D+01  0.441932D+01
      6   0.584768D+01 -0.421105D+00 -0.609396D+01  0.876228D+01 -0.538857D+00
               206           207           208           209           210 
      1   0.558936D+01 -0.183195D+02 -0.172933D+00 -0.768452D+01 -0.448929D+01
      2  -0.231708D-01 -0.114058D+02 -0.181182D+00  0.970623D+01  0.205636D+01
      3  -0.556619D+01  0.297253D+02  0.354114D+00 -0.202171D+01  0.243292D+01
      4   0.303692D+01  0.498671D+00  0.174648D+02  0.773807D+01  0.825386D+01
      5  -0.235892D+01  0.113272D+02  0.911576D+01  0.571719D+01  0.568277D+01
      6   0.738493D+01 -0.175360D+02  0.941630D+01  0.112081D+02  0.101016D+02
               211           212           213           214           215 
      1  -0.216727D+01 -0.311642D+01 -0.181429D+01 -0.170873D+01 -0.141142D+01
      2   0.301806D+01  0.685958D+01  0.150521D+01 -0.700342D+00 -0.142594D+01
      3  -0.850781D+00 -0.374316D+01  0.309078D+00  0.240907D+01  0.283736D+01
      4   0.780203D+01  0.781399D+01  0.498344D+01  0.432229D+01  0.417991D+01
      5   0.296223D+01  0.324804D+01  0.233964D+01  0.460307D+01  0.224842D+01
      6   0.549666D+01  0.514468D+01  0.531460D+01  0.554316D+01  0.501008D+01
               216           217           218           219           220 
      1  -0.403345D+01 -0.560972D+00  0.328588D+01  0.237564D+01  0.290868D+00
      2  -0.190099D+01 -0.365996D+01 -0.411895D+01  0.620473D+01 -0.131938D+01
      3   0.593444D+01  0.422094D+01  0.833066D+00 -0.858037D+01  0.102852D+01
      4   0.553027D+01 -0.355523D+01  0.436030D+01  0.456835D+01  0.479164D+00
      5   0.369967D+01 -0.492737D+01  0.192587D+01  0.841990D+01  0.322788D+00
      6   0.849219D+01  0.444195D+01 -0.311854D+01 -0.694761D+01 -0.963850D-01
               221           222           223           224           225 
      1   0.295167D+01  0.158708D+01  0.177445D+01 -0.492634D+01 -0.119839D+02
      2  -0.624436D+01  0.236256D+01  0.363019D+01  0.285838D+01 -0.162945D+02
      3   0.329269D+01 -0.394963D+01 -0.540464D+01  0.206796D+01  0.282783D+02
      4   0.213710D+01  0.715586D+00  0.355872D+01 -0.196970D+01 -0.290236D+01
      5  -0.136148D+01  0.956512D+00  0.555975D+01 -0.124126D+01 -0.992080D+01
      6  -0.196748D+01  0.687458D+00 -0.326179D+01  0.652961D+01  0.188556D+02
               226           227           228           229           230 
      1  -0.107593D+01 -0.529181D+00 -0.137113D+01 -0.566548D+01 -0.115303D+02
      2   0.455158D+01 -0.231564D+01  0.178429D+01  0.135417D+01  0.210388D+02
      3  -0.347565D+01  0.284482D+01 -0.413168D+00  0.431131D+01 -0.950845D+01
      4  -0.331570D+01  0.531579D+01  0.191120D+00  0.863846D+01 -0.212707D+02
      5  -0.159164D+01 -0.313452D+00 -0.104321D+00 -0.493440D+01  0.281539D+01
      6   0.205372D+00  0.484348D+00 -0.198627D+00  0.389807D+01 -0.122384D+02
               231           232           233           234           235 
      1   0.154049D+01 -0.547090D+01  0.224046D+01 -0.428299D+01 -0.275243D+01
      2  -0.237987D+00  0.366835D+01  0.885156D+00  0.237977D+01 -0.158752D+00
      3  -0.130250D+01  0.180255D+01 -0.312561D+01  0.190322D+01  0.291119D+01
      4   0.442584D+01  0.175236D+01 -0.214444D+01 -0.208991D+01  0.965287D+00
      5  -0.461780D+01 -0.134542D+01 -0.192734D+01  0.747660D-01  0.232050D+00
      6   0.542893D+01 -0.438104D-01  0.277786D+01 -0.201365D+01  0.129237D+01
               236           237           238           239           240 
      1   0.983182D+00  0.358584D+01  0.375503D+01 -0.357585D+01  0.114305D+01
      2  -0.172405D+01  0.969754D+00 -0.381298D+01  0.678558D+00 -0.336091D+01
      3   0.740866D+00 -0.455559D+01  0.579491D-01  0.289729D+01  0.221786D+01
      4  -0.594680D+00  0.171511D+00  0.793866D+00 -0.948742D+00  0.241415D+01
      5   0.121933D+01  0.190121D+01  0.185413D+01  0.159939D+01  0.165509D+01
      6  -0.760028D+00  0.177873D+01  0.116313D+00 -0.204949D+01  0.469537D+01
               241           242           243           244           245 
      1   0.379961D+01  0.386255D+01 -0.206475D+02 -0.107711D+00  0.764566D+01
      2  -0.594176D+01  0.937976D+00 -0.162755D+02 -0.246665D+00 -0.968461D+01
      3   0.214216D+01 -0.480052D+01  0.369231D+02  0.354376D+00  0.203895D+01
      4  -0.155009D+01  0.342026D+01 -0.262290D+01 -0.175258D+02  0.777187D+01
      5   0.690473D+01 -0.396801D+01  0.216928D+02 -0.917514D+01  0.574123D+01
      6  -0.151424D+01  0.534177D+01 -0.101547D+02  0.946093D+01 -0.111833D+02
               246           247           248           249           250 
      1   0.444917D+01  0.212871D+01 -0.303134D+01 -0.176951D+01  0.169665D+01
      2  -0.201094D+01 -0.299430D+01  0.675786D+01  0.146302D+01  0.727005D+00
      3  -0.243823D+01  0.865598D+00 -0.372652D+01  0.306496D+00 -0.242366D+01
      4   0.831000D+01  0.778274D+01 -0.780192D+01 -0.497190D+01  0.435170D+01
      5   0.573613D+01  0.296062D+01 -0.323724D+01 -0.233647D+01  0.463484D+01
      6  -0.101154D+02 -0.547658D+01  0.507710D+01  0.528273D+01 -0.555387D+01
               251           252           253           254           255 
      1  -0.138671D+01 -0.400916D+01 -0.573325D+00 -0.333690D+01 -0.241766D+01
      2  -0.145158D+01 -0.193254D+01 -0.365797D+01  0.416110D+01 -0.618970D+01
      3   0.283829D+01  0.594171D+01  0.423129D+01 -0.824202D+00  0.860736D+01
      4  -0.416905D+01 -0.554287D+01  0.356656D+01  0.436675D+01  0.460288D+01
      5  -0.225198D+01 -0.373377D+01  0.492381D+01  0.193848D+01  0.842037D+01
      6   0.500253D+01  0.850434D+01  0.446607D+01  0.315894D+01  0.700905D+01
               256           257           258           259           260 
      1  -0.311565D+00  0.295293D+01  0.156877D+01 -0.178557D+01 -0.496018D+01
      2   0.133699D+01 -0.623168D+01  0.232322D+01 -0.362793D+01  0.285088D+01
      3  -0.102543D+01  0.327876D+01 -0.389199D+01  0.541350D+01  0.210930D+01
      4   0.502291D+00 -0.207356D+01 -0.696667D+00  0.357319D+01  0.196379D+01
      5   0.336073D+00  0.137928D+01 -0.924059D+00  0.555441D+01  0.125040D+01
      6   0.125785D+00 -0.192806D+01  0.726406D+00  0.327909D+01  0.657182D+01
               261           262           263           264           265 
      1  -0.120035D+02  0.206852D+02 -0.516197D+01 -0.796017D+01 -0.802960D+01
      2  -0.162413D+02 -0.168726D+02  0.679943D+01  0.954026D+01  0.889953D+01
      3   0.282448D+02 -0.381262D+01 -0.163746D+01 -0.158009D+01 -0.869933D+00
      4   0.294636D+01 -0.128659D+01  0.641161D+01  0.150943D+01  0.125332D+01
      5   0.987941D+01 -0.159082D+02  0.428286D+01  0.107019D+02  0.109207D+02
      6   0.189320D+02  0.749294D+00 -0.133646D+01  0.529251D+00 -0.101598D+01
               266           267           268           269           270 
      1   0.560822D+01  0.387496D+01 -0.339158D+01  0.126708D+01  0.211478D+01
      2  -0.615870D+01 -0.621685D+01  0.691566D+01 -0.206769D+01 -0.805032D+01
      3   0.550478D+00  0.234189D+01 -0.352408D+01  0.800609D+00  0.593553D+01
      4  -0.747891D+01 -0.497582D+00  0.299753D+01 -0.234661D+00 -0.209420D+01
      5  -0.279717D+01 -0.758017D+01  0.796494D+01 -0.362198D+01 -0.886249D+01
      6   0.266774D+01  0.429255D+00 -0.372699D+00  0.135376D+01 -0.691879D+00
               271           272           273           274           275 
      1  -0.260862D+01  0.235935D+01 -0.718667D+01  0.375600D+00 -0.510766D+01
      2  -0.170627D+01 -0.144655D+01 -0.104652D+01  0.446936D+00  0.193138D+01
      3   0.431489D+01 -0.912799D+00  0.823319D+01 -0.822535D+00  0.317627D+01
      4  -0.633128D+01 -0.293053D+01  0.341006D+00  0.131542D+01  0.166500D+01
      5   0.237037D+01  0.212384D+01 -0.174783D+00  0.342471D+00 -0.103769D+01
      6  -0.106614D-01  0.327420D+01 -0.583581D+01  0.427966D+00 -0.604356D+01
               276           277           278           279           280 
      1   0.631159D+01 -0.244454D+01  0.556320D+01 -0.183157D+02  0.650021D+01
      2  -0.102046D+01  0.149673D+01 -0.367527D-01 -0.114863D+02 -0.340078D+01
      3  -0.529113D+01  0.947809D+00 -0.552645D+01  0.298019D+02 -0.309943D+01
      4  -0.548265D+00 -0.316103D+01 -0.305257D+01 -0.513384D+00  0.470402D+01
      5   0.175595D+01  0.443269D+01  0.235698D+01 -0.113525D+02  0.814085D+01
      6   0.870634D+01  0.558411D+00  0.736267D+01 -0.175407D+02  0.223441D+01
               281           282           283           284           285 
      1   0.372048D+01  0.686339D+01  0.757434D+01 -0.584315D+00 -0.209264D+01
      2  -0.138212D+01 -0.376278D+01 -0.384998D+01  0.367894D+01 -0.204862D+00
      3  -0.233835D+01 -0.310061D+01 -0.372436D+01 -0.309463D+01  0.229750D+01
      4   0.521871D+01  0.191124D+01  0.117578D+02  0.245808D+02  0.125284D+02
      5   0.252754D+01  0.513468D+01  0.631070D+01  0.132613D+02  0.145066D+02
      6   0.783199D+00  0.728362D+00  0.436473D+01  0.120427D+02  0.825914D+01
               286           287           288           289           290 
      1   0.807154D+01 -0.192632D+01 -0.716776D+00  0.675937D+02 -0.170221D+02
      2  -0.606761D+01 -0.102575D+01 -0.376819D+01 -0.373245D+02  0.835480D+01
      3  -0.200394D+01  0.295207D+01  0.448496D+01 -0.302692D+02  0.866735D+01
      4   0.356224D+01  0.882675D+01  0.899642D+01 -0.218872D+02  0.131771D+02
      5   0.870072D+01  0.941953D+01  0.135858D+02  0.280853D+02 -0.745270D+01
      6   0.229609D+01  0.743975D+01  0.694516D+01 -0.483190D+01  0.297037D+01
               291           292           293           294           295 
      1   0.176991D+02 -0.271086D+02  0.133527D+02 -0.739591D+01  0.155468D+02
      2  -0.112655D+02  0.136700D+02 -0.570093D+01  0.489380D+01 -0.121250D+02
      3  -0.643358D+01  0.134386D+02 -0.765179D+01  0.250210D+01 -0.342188D+01
      4  -0.637535D+01  0.208662D+02 -0.137023D+02  0.907296D+01 -0.604520D+01
      5   0.170415D+02 -0.127881D+02  0.100647D+02 -0.767518D+01  0.216100D+02
      6  -0.191923D+01  0.573881D+01 -0.357225D+01  0.434746D+01 -0.323666D+01
               296           297           298           299           300 
      1  -0.387656D+01  0.121640D+02  0.673328D+02  0.171678D+02 -0.175727D+02
      2   0.348851D+01 -0.983000D+01 -0.370677D+02 -0.838271D+01  0.111485D+02
      3   0.388049D+00 -0.233398D+01 -0.302651D+02 -0.878512D+01  0.642412D+01
      4   0.588198D+01 -0.579490D+01  0.222067D+02  0.133389D+02 -0.643072D+01
      5  -0.621773D+01  0.133305D+02 -0.278835D+02 -0.748389D+01  0.169333D+02
      6   0.371706D+01 -0.283010D+01 -0.488642D+01 -0.299565D+01  0.195590D+01
               301           302           303           304           305 
      1   0.272451D+02  0.134639D+02 -0.738311D+01 -0.154251D+02 -0.387219D+01
      2  -0.136597D+02 -0.568613D+01  0.485517D+01  0.120030D+02  0.347363D+01
      3  -0.135854D+02 -0.777778D+01  0.252794D+01  0.342215D+01  0.398566D+00
      4   0.211063D+02  0.139423D+02 -0.912729D+01 -0.610454D+01 -0.591866D+01
      5  -0.128017D+02 -0.101064D+02  0.770344D+01  0.215013D+02  0.627037D+01
      6  -0.577900D+01 -0.363383D+01  0.436711D+01  0.329518D+01  0.374369D+01
               306           307           308           309           310 
      1   0.120925D+02  0.666503D+01 -0.375027D+01 -0.688015D+01 -0.767003D+01
      2  -0.973943D+01 -0.349594D+01  0.140439D+01  0.378524D+01  0.391865D+01
      3  -0.235308D+01 -0.316909D+01  0.234588D+01  0.309491D+01  0.375138D+01
      4   0.586930D+01 -0.476676D+01  0.531726D+01  0.194099D+01  0.118597D+02
      5  -0.132267D+02 -0.821014D+01  0.257197D+01  0.520758D+01  0.638391D+01
      6  -0.286797D+01  0.222829D+01 -0.824916D+00 -0.752631D+00 -0.439785D+01
               311           312           313           314           315 
      1  -0.363074D+00 -0.197070D+01 -0.810341D+01 -0.185253D+01 -0.618624D+00
      2   0.348887D+01 -0.298430D+00  0.610204D+01 -0.108131D+01 -0.383357D+01
      3  -0.312580D+01  0.226913D+01  0.200136D+01  0.293384D+01  0.445219D+01
      4  -0.245748D+02 -0.125359D+02  0.356780D+01 -0.882767D+01 -0.899648D+01
      5  -0.132850D+02 -0.145304D+02  0.876170D+01 -0.942678D+01 -0.136129D+02
      6   0.119518D+02  0.818490D+01 -0.230933D+01  0.738818D+01  0.688291D+01
               316           317           318           319           320 
      1  -0.270921D+01 -0.987396D+00 -0.357149D+01 -0.377181D+01 -0.358946D+01
      2  -0.194542D+00  0.171502D+01 -0.947328D+00  0.383370D+01  0.696285D+00
      3   0.290375D+01 -0.727626D+00  0.451882D+01 -0.618903D-01  0.289318D+01
      4  -0.975551D+00 -0.610935D+00  0.171596D+00  0.758403D+00  0.918487D+00
      5  -0.259768D+00  0.121983D+01  0.193111D+01  0.187570D+01 -0.158205D+01
      6   0.129927D+01  0.765248D+00 -0.177193D+01 -0.997773D-01 -0.202560D+01
               321           322           323           324           325 
      1   0.110897D+01 -0.378766D+01  0.382830D+01 -0.206360D+02 -0.114323D+01
      2  -0.340018D+01  0.594499D+01  0.923551D+00 -0.162998D+02  0.458172D+01
      3   0.229121D+01 -0.215732D+01 -0.475185D+01  0.369358D+02 -0.343850D+01
      4  -0.240061D+01 -0.156954D+01 -0.341590D+01  0.258720D+01  0.323206D+01
      5  -0.170929D+01  0.691314D+01  0.395096D+01 -0.217210D+02  0.160958D+01
      6   0.466902D+01  0.152261D+01  0.533619D+01 -0.101603D+02  0.224144D+00
               326           327           328           329           330 
      1   0.533748D+00  0.136301D+01  0.565490D+01 -0.116827D+02  0.159976D+01
      2   0.227823D+01 -0.178313D+01 -0.136580D+01  0.211763D+02 -0.304111D+00
      3  -0.281198D+01  0.420113D+00 -0.428911D+01 -0.949361D+01 -0.129565D+01
      4   0.522545D+01  0.215102D+00  0.859876D+01  0.212193D+02 -0.445398D+01
      5  -0.301080D+00 -0.116788D+00 -0.492124D+01 -0.283071D+01  0.461119D+01
      6  -0.437292D+00  0.176348D+00 -0.388334D+01 -0.123205D+02  0.547623D+01
               331           332           333 
      1   0.544724D+01  0.226297D+01 -0.430338D+01
      2  -0.365840D+01  0.859217D+00  0.238444D+01
      3  -0.178884D+01 -0.312219D+01  0.191894D+01
      4   0.176872D+01  0.211992D+01  0.207003D+01
      5  -0.133684D+01  0.191589D+01 -0.930109D-01
      6   0.308339D-01  0.280434D+01 -0.203276D+01
 Leave Link  716 at Fri Jul 16 15:20:05 2021, MaxMem=  5637144576 cpu:               6.4 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.156927D+03 -0.100980D-02 -0.182198D-02
      2  -0.100980D-02  0.155464D+03  0.347485D-01
      3  -0.182198D-02  0.347485D-01  0.122994D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.136100D+01 -0.404786D-01  0.243569D-02
      2  -0.226799D-01  0.320377D+01 -0.195352D+01
      3  -0.174048D-01 -0.182092D+01 -0.334474D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.904695D+02 -0.529055D+00  0.158467D-01
      2   0.968415D+02  0.560342D+00  0.159230D-01
      3  -0.637205D+01 -0.312875D-01 -0.317697D-01
      4  -0.550676D+00  0.993999D+02 -0.491150D+01
      5  -0.642726D-01  0.116208D+01 -0.914776D+01
      6  -0.942303D+01 -0.711734D-01 -0.531466D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.513340D+01 -0.419083D+01  0.361901D+01 -0.594735D+01  0.140422D+01
      2  -0.419083D+01  0.871877D+00 -0.571520D+00  0.140422D+01  0.294950D+01
      3   0.361901D+01 -0.571520D+00  0.937984D+00 -0.134670D+01  0.295271D+01
                 6             7             8             9            10 
      1  -0.134670D+01  0.230524D+01 -0.809096D+00  0.112457D+01  0.507848D+01
      2   0.295271D+01 -0.809096D+00  0.227914D+01  0.777715D+00  0.419864D+01
      3   0.588650D+00  0.112457D+01  0.777715D+00 -0.423089D+00 -0.360639D+01
                11            12            13            14            15 
      1   0.419864D+01 -0.360639D+01  0.596664D+01  0.147091D+01 -0.133976D+01
      2   0.927921D+00 -0.562575D+00  0.147091D+01 -0.293306D+01 -0.295821D+01
      3  -0.562575D+00  0.924357D+00 -0.133976D+01 -0.295821D+01 -0.584413D+00
                16            17            18            19            20 
      1  -0.229051D+01 -0.794852D+00  0.111680D+01 -0.979647D+01 -0.487332D+01
      2  -0.794852D+00 -0.228195D+01 -0.773202D+00 -0.487332D+01 -0.156941D+01
      3   0.111680D+01 -0.773202D+00  0.425009D+00  0.533983D+01  0.150978D+01
                21            22            23            24            25 
      1   0.533983D+01 -0.171656D+01 -0.693224D+00  0.273132D+00  0.341038D+01
      2   0.150978D+01 -0.693224D+00  0.171090D+01  0.137864D+01  0.129287D+01
      3  -0.226215D+01  0.273132D+00  0.137864D+01 -0.742164D+00 -0.209214D+01
                26            27            28            29            30 
      1   0.129287D+01 -0.209214D+01  0.182756D+01  0.116522D-01  0.393513D-02
      2   0.190673D+01 -0.100992D+01  0.116522D-01 -0.210139D+01 -0.163088D+01
      3  -0.100992D+01 -0.177316D+01  0.393513D-02 -0.163088D+01  0.231399D+00
                31            32            33            34            35 
      1   0.163949D-01 -0.205850D+01  0.196328D+01  0.901191D-02 -0.947549D-01
      2  -0.205850D+01 -0.730095D-02  0.173979D-02 -0.947549D-01  0.158330D-01
      3   0.196328D+01  0.173979D-02  0.387033D-02  0.142587D+00  0.390094D-02
                36            37            38            39            40 
      1   0.142587D+00  0.544957D+01  0.427492D+01 -0.204070D+01  0.644112D+01
      2   0.390094D-02  0.427492D+01  0.168406D+01 -0.320356D+01  0.372384D+01
      3   0.283804D-02 -0.204070D+01 -0.320356D+01  0.197213D+01 -0.393207D+01
                41            42            43            44            45 
      1   0.372384D+01 -0.393207D+01 -0.166396D+01 -0.203631D+01  0.252585D+01
      2   0.356249D+01 -0.269457D+01 -0.203631D+01 -0.142700D+01 -0.269476D-01
      3  -0.269457D+01  0.653462D+00  0.252585D+01 -0.269476D-01  0.755719D+00
                46            47            48            49            50 
      1  -0.319046D+01 -0.117840D+01 -0.219241D+00 -0.254033D+01 -0.271823D+01
      2  -0.117840D+01 -0.984126D+00  0.335946D+01 -0.271823D+01 -0.179893D+01
      3  -0.219241D+00  0.335946D+01 -0.198605D+01  0.342561D+01  0.276440D+01
                51            52            53            54            55 
      1   0.342561D+01  0.194320D+00  0.456573D+01 -0.296117D+01  0.637405D+00
      2   0.276440D+01  0.456573D+01  0.324810D+01 -0.894001D+00 -0.110466D+01
      3  -0.263412D+00 -0.296117D+01 -0.894001D+00  0.340955D+00  0.102158D+01
                56            57            58            59            60 
      1  -0.110466D+01  0.102158D+01 -0.322962D+00 -0.423587D+00 -0.289915D+01
      2  -0.243473D+01 -0.293532D+01 -0.423587D+00 -0.588690D+01 -0.349122D+01
      3  -0.293532D+01  0.898561D+00 -0.289915D+01 -0.349122D+01 -0.158229D+01
                61            62            63            64            65 
      1   0.160430D+01 -0.351252D+01  0.835576D+00  0.147359D+01  0.338419D+00
      2  -0.351252D+01 -0.494621D+01 -0.272189D+01  0.338419D+00  0.378550D+01
      3   0.835576D+00 -0.272189D+01 -0.197587D+00 -0.726637D+00  0.232285D+01
                66            67            68            69            70 
      1  -0.726637D+00 -0.291830D+00  0.956594D+00  0.163648D+01 -0.417895D+00
      2   0.232285D+01  0.956594D+00  0.119878D+02  0.507009D+01  0.975390D+00
      3  -0.518635D+00  0.163648D+01  0.507009D+01  0.174774D+01 -0.129580D+01
                71            72            73            74            75 
      1   0.975390D+00 -0.129580D+01 -0.981863D+01  0.484612D+01 -0.534119D+01
      2   0.325505D+01  0.200045D+01  0.484612D+01 -0.152456D+01  0.150206D+01
      3   0.200045D+01 -0.814133D+00 -0.534119D+01  0.150206D+01 -0.227576D+01
                76            77            78            79            80 
      1   0.167974D+01 -0.657949D+00  0.258873D+00 -0.341792D+01  0.129497D+01
      2  -0.657949D+00 -0.172020D+01 -0.137893D+01  0.129497D+01 -0.190853D+01
      3   0.258873D+00 -0.137893D+01  0.722177D+00 -0.210490D+01  0.993776D+00
                81            82            83            84            85 
      1  -0.210490D+01  0.548967D+01 -0.426837D+01  0.205424D+01 -0.644203D+01
      2   0.993776D+00 -0.426837D+01  0.167589D+01 -0.321688D+01  0.370560D+01
      3   0.177402D+01  0.205424D+01 -0.321688D+01  0.196646D+01 -0.394605D+01
                86            87            88            89            90 
      1   0.370560D+01 -0.394605D+01  0.166204D+01 -0.204012D+01  0.251798D+01
      2  -0.354413D+01  0.266587D+01 -0.204012D+01  0.140642D+01  0.354715D-01
      3   0.266587D+01 -0.647770D+00  0.251798D+01  0.354715D-01 -0.745831D+00
                91            92            93            94            95 
      1  -0.320992D+01  0.117428D+01  0.191520D+00  0.254431D+01 -0.272233D+01
      2   0.117428D+01 -0.998388D+00  0.337960D+01 -0.272233D+01  0.179054D+01
      3   0.191520D+00  0.337960D+01 -0.197592D+01  0.344331D+01 -0.273749D+01
                96            97            98            99           100 
      1   0.344331D+01 -0.226247D+00  0.458139D+01 -0.295056D+01  0.625148D+00
      2  -0.273749D+01  0.458139D+01 -0.320994D+01  0.875892D+00  0.112584D+01
      3   0.249874D+00 -0.295056D+01  0.875892D+00 -0.346661D+00 -0.991489D+00
               101           102           103           104           105 
      1   0.112584D+01 -0.991489D+00  0.330109D+00 -0.424309D+00 -0.291940D+01
      2  -0.244129D+01 -0.296033D+01 -0.424309D+00  0.583899D+01  0.345658D+01
      3  -0.296033D+01  0.877903D+00 -0.291940D+01  0.345658D+01  0.159493D+01
               106           107           108           109           110 
      1  -0.156992D+01 -0.354294D+01  0.809217D+00  0.147739D+01 -0.350877D+00
      2  -0.354294D+01  0.491644D+01  0.274067D+01 -0.350877D+00  0.382239D+01
      3   0.809217D+00  0.274067D+01  0.209767D+00  0.705978D+00  0.234522D+01
               111           112           113           114           115 
      1   0.705978D+00  0.290675D+00  0.995652D+00  0.165694D+01  0.407983D+00
      2   0.234522D+01  0.995652D+00 -0.119501D+02 -0.505141D+01  0.990277D+00
      3  -0.506527D+00  0.165694D+01 -0.505141D+01 -0.175673D+01 -0.128271D+01
               116           117           118           119           120 
      1   0.990277D+00 -0.128271D+01  0.511171D+01  0.235063D+00  0.153915D+01
      2  -0.326562D+01 -0.201946D+01  0.235063D+00  0.129698D+01 -0.263295D+00
      3  -0.201946D+01  0.812121D+00  0.153915D+01 -0.263295D+00  0.143828D+01
               121           122           123           124           125 
      1  -0.765620D+00  0.877426D+00 -0.559241D+00  0.267907D+01 -0.482832D+00
      2   0.877426D+00 -0.876720D+00  0.379706D+00 -0.482832D+00  0.850296D+00
      3  -0.559241D+00  0.379706D+00 -0.428396D+00  0.201838D+01  0.191388D-01
               126           127           128           129           130 
      1   0.201838D+01  0.455632D+01  0.300420D+01 -0.159192D+01  0.308697D+01
      2   0.191388D-01  0.300420D+01  0.268818D+01 -0.146444D+01  0.333473D+01
      3   0.212211D+01 -0.159192D+01 -0.146444D+01  0.143077D+01 -0.154425D+01
               131           132           133           134           135 
      1   0.333473D+01 -0.154425D+01 -0.284404D+01 -0.296583D+01  0.257747D+01
      2   0.562467D+01 -0.208091D+01 -0.296583D+01 -0.324067D+01  0.250535D+01
      3  -0.208091D+01  0.159332D+01  0.257747D+01  0.250535D+01 -0.276555D+01
               136           137           138           139           140 
      1  -0.249599D+01  0.108364D+01 -0.107413D+01  0.920442D+00 -0.112397D+01
      2   0.108364D+01 -0.222494D+01  0.891849D+00 -0.112397D+01  0.362690D+01
      3  -0.107413D+01  0.891849D+00 -0.115545D+01  0.557620D+00 -0.892515D+00
               141           142           143           144           145 
      1   0.557620D+00 -0.175867D+01  0.103605D+01 -0.103184D+01  0.151249D+01
      2  -0.892515D+00  0.103605D+01 -0.174014D+01  0.175585D+01  0.206869D+01
      3   0.989769D+00 -0.103184D+01  0.175585D+01 -0.221299D+01  0.581601D+00
               146           147           148           149           150 
      1   0.206869D+01  0.581601D+00  0.155543D+01  0.204763D+01  0.875357D+00
      2   0.242742D+01  0.955823D+00  0.204763D+01  0.948695D+01  0.291968D+01
      3   0.955823D+00  0.611978D+00  0.875357D+00  0.291968D+01  0.194266D+01
               151           152           153           154           155 
      1   0.507117D+00  0.160307D+01  0.809993D+00 -0.248029D+01 -0.108657D+01
      2   0.160307D+01  0.543734D+01  0.332182D+01 -0.108657D+01 -0.222570D+01
      3   0.809993D+00  0.332182D+01  0.252730D+01  0.106414D+01  0.893048D+00
               156           157           158           159           160 
      1   0.106414D+01 -0.926431D+00 -0.112182D+01  0.558582D+00  0.174575D+01
      2   0.893048D+00 -0.112182D+01 -0.365977D+01  0.900359D+00  0.103741D+01
      3  -0.114757D+01  0.558582D+00  0.900359D+00 -0.997217D+00 -0.102022D+01
               161           162           163           164           165 
      1   0.103741D+01 -0.102022D+01  0.153826D+01 -0.208253D+01 -0.594032D+00
      2   0.175452D+01 -0.176128D+01 -0.208253D+01  0.245304D+01  0.971036D+00
      3  -0.176128D+01  0.220475D+01 -0.594032D+00  0.971036D+00  0.626066D+00
               166           167           168           169           170 
      1  -0.156467D+01  0.206581D+01  0.887014D+00 -0.524753D+00  0.162705D+01
      2   0.206581D+01 -0.942686D+01 -0.291409D+01  0.162705D+01 -0.543152D+01
      3   0.887014D+00 -0.291409D+01 -0.194471D+01  0.829067D+00 -0.332713D+01
               171           172           173           174           175 
      1   0.829067D+00  0.511081D+01 -0.217670D+00 -0.153257D+01  0.784518D+00
      2  -0.332713D+01 -0.217670D+00  0.129448D+01 -0.270938D+00  0.878240D+00
      3  -0.254222D+01 -0.153257D+01 -0.270938D+00  0.143407D+01 -0.565739D+00
               176           177           178           179           180 
      1   0.878240D+00 -0.565739D+00 -0.266791D+01 -0.494532D+00  0.201310D+01
      2   0.896147D+00 -0.382910D+00 -0.494532D+00 -0.854219D+00 -0.779652D-02
      3  -0.382910D+00  0.436254D+00  0.201310D+01 -0.779652D-02 -0.211549D+01
               181           182           183           184           185 
      1   0.459321D+01 -0.301265D+01  0.160206D+01 -0.309792D+01  0.333865D+01
      2  -0.301265D+01  0.269309D+01 -0.146735D+01  0.333865D+01 -0.559876D+01
      3   0.160206D+01 -0.146735D+01  0.143450D+01 -0.154659D+01  0.206860D+01
               186           187           188           189           190 
      1  -0.154659D+01  0.286124D+01 -0.296659D+01  0.258257D+01  0.463153D+01
      2   0.206860D+01 -0.296659D+01  0.321727D+01 -0.249419D+01  0.938929D+00
      3  -0.158686D+01  0.258257D+01 -0.249419D+01  0.276024D+01  0.191555D+01
               191           192           193           194           195 
      1   0.938929D+00  0.191555D+01  0.267107D+01  0.133395D+00  0.192030D+01
      2   0.181605D+01  0.766592D+00  0.133395D+00  0.209866D+01 -0.584614D-01
      3   0.766592D+00  0.156336D+01  0.192030D+01 -0.584614D-01  0.144305D+01
               196           197           198           199           200 
      1   0.103613D+01  0.104860D+01  0.101149D+01 -0.168202D+01  0.135944D+01
      2   0.104860D+01  0.124861D+00  0.610599D+00  0.135944D+01 -0.102117D+01
      3   0.101149D+01  0.610599D+00  0.182318D+01 -0.120230D+00  0.104193D+01
               201           202           203           204           205 
      1  -0.120230D+00 -0.658173D-02 -0.295124D-01  0.317628D+00  0.125828D+01
      2   0.104193D+01 -0.295124D-01 -0.125644D+01  0.967061D+00 -0.289995D+00
      3  -0.168241D+01  0.317628D+00  0.967061D+00 -0.138033D+01  0.201186D+00
               206           207           208           209           210 
      1  -0.289995D+00  0.201186D+00 -0.361133D+01 -0.108801D+01 -0.163501D+01
      2   0.139274D+01 -0.141441D+01 -0.108801D+01 -0.379849D+01 -0.204650D+01
      3  -0.141441D+01  0.596371D+01 -0.163501D+01 -0.204650D+01 -0.193845D+01
               211           212           213           214           215 
      1  -0.167412D+01 -0.136458D+01 -0.981321D+00 -0.129646D+01 -0.875504D+00
      2  -0.136458D+01 -0.146540D+01 -0.281907D+00 -0.875504D+00  0.729199D-01
      3  -0.981321D+00 -0.281907D+00 -0.729255D+00 -0.100945D+01 -0.656596D+00
               216           217           218           219           220 
      1  -0.100945D+01  0.883780D+00 -0.693891D+00 -0.131071D+01 -0.494100D+00
      2  -0.656596D+00 -0.693891D+00  0.163082D+01  0.498047D+00 -0.833608D-01
      3  -0.187135D+01 -0.131071D+01  0.498047D+00  0.204003D+01 -0.231516D+00
               221           222           223           224           225 
      1  -0.833608D-01 -0.231516D+00 -0.112900D+01  0.225898D+00  0.117002D+01
      2   0.217069D+01  0.362590D+00  0.225898D+00 -0.155054D+01 -0.923046D+00
      3   0.362590D+00  0.640830D+00  0.117002D+01 -0.923046D+00 -0.580071D+01
               226           227           228           229           230 
      1   0.488336D+00  0.446026D+00  0.844302D+00  0.269314D+01 -0.124301D+01
      2   0.446026D+00 -0.108063D+01 -0.137704D+00 -0.124301D+01  0.595379D+01
      3   0.844302D+00 -0.137704D+00  0.206404D+00  0.953094D+00 -0.970910D+00
               231           232           233           234           235 
      1   0.953094D+00  0.183692D+01 -0.423097D+00  0.567350D+00  0.869087D+00
      2  -0.970910D+00 -0.423097D+00  0.115634D-01  0.500972D+00 -0.772611D+00
      3   0.130312D+01  0.567350D+00  0.500972D+00 -0.258241D+00  0.177301D-01
               236           237           238           239           240 
      1  -0.772611D+00  0.177301D-01 -0.128693D+01  0.100647D+00 -0.445628D+00
      2  -0.848103D-01 -0.384481D+00  0.100647D+00  0.757191D+00 -0.590302D+00
      3  -0.384481D+00  0.692516D+00 -0.445628D+00 -0.590302D+00 -0.347742D+00
               241           242           243           244           245 
      1  -0.195326D+01  0.277565D+00 -0.102503D+01 -0.362185D+01  0.109574D+01
      2   0.277565D+00 -0.102873D+01  0.121120D+01  0.109574D+01 -0.379858D+01
      3  -0.102503D+01  0.121120D+01 -0.737697D+01  0.164780D+01 -0.204296D+01
               246           247           248           249           250 
      1   0.164780D+01  0.167085D+01 -0.136042D+01 -0.977068D+00  0.130210D+01
      2  -0.204296D+01 -0.136042D+01  0.144027D+01  0.271634D+00 -0.870809D+00
      3  -0.194307D+01 -0.977068D+00  0.271634D+00  0.724205D+00 -0.101290D+01
               251           252           253           254           255 
      1  -0.870809D+00 -0.101290D+01  0.881781D+00  0.693468D+00  0.131370D+01
      2  -0.757104D-01  0.657120D+00  0.693468D+00  0.164686D+01  0.506447D+00
      3   0.657120D+00  0.187563D+01  0.131370D+01  0.506447D+00  0.204836D+01
               256           257           258           259           260 
      1   0.498872D+00 -0.703227D-01 -0.225379D+00  0.112835D+01  0.226452D+00
      2  -0.703227D-01 -0.216328D+01 -0.360290D+00  0.226452D+00  0.155525D+01
      3  -0.225379D+00 -0.360290D+00 -0.627544D+00  0.117104D+01  0.933734D+00
               261           262           263           264           265 
      1   0.117104D+01  0.465581D+01 -0.935751D+00 -0.191720D+01 -0.266033D+01
      2   0.933734D+00 -0.935751D+00  0.182359D+01  0.757453D+00  0.133940D+00
      3   0.580092D+01 -0.191720D+01  0.757453D+00  0.156010D+01  0.190879D+01
               266           267           268           269           270 
      1   0.133940D+00  0.190879D+01 -0.103168D+01  0.104653D+01  0.100363D+01
      2  -0.209438D+01  0.713657D-01  0.104653D+01 -0.111266D+00 -0.606251D+00
      3   0.713657D-01 -0.143086D+01  0.100363D+01 -0.606251D+00 -0.180762D+01
               271           272           273           274           275 
      1  -0.166850D+01 -0.136292D+01  0.117033D+00 -0.332315D-02 -0.367849D-01
      2  -0.136292D+01 -0.102841D+01  0.104000D+01 -0.367849D-01  0.124514D+01
      3   0.117033D+00  0.104000D+01 -0.168039D+01  0.318327D+00 -0.957455D+00
               276           277           278           279           280 
      1   0.318327D+00 -0.126094D+01 -0.295101D+00  0.205921D+00 -0.108610D+01
      2  -0.957455D+00 -0.295101D+00 -0.139494D+01  0.140905D+01 -0.739736D+00
      3   0.136583D+01  0.205921D+00  0.140905D+01 -0.597680D+01 -0.106430D+01
               281           282           283           284           285 
      1  -0.739736D+00 -0.106430D+01 -0.154621D+01 -0.131563D+01 -0.569921D+00
      2  -0.394942D+00 -0.181264D+00 -0.131563D+01 -0.419007D+01 -0.208871D+01
      3  -0.181264D+00 -0.454015D+00 -0.569921D+00 -0.208871D+01 -0.227374D+01
               286           287           288           289           290 
      1  -0.167960D+01 -0.423359D+00 -0.960202D+00 -0.982719D+01  0.245179D+01
      2  -0.423359D+00 -0.155366D+01 -0.149364D+01  0.245179D+01 -0.163076D+01
      3  -0.960202D+00 -0.149364D+01 -0.220179D+01 -0.268789D+01  0.656064D+00
               291           292           293           294           295 
      1  -0.268789D+01  0.487960D+01 -0.261751D+01  0.157679D+01 -0.299433D+01
      2   0.656064D+00 -0.261751D+01  0.138200D+01 -0.128758D+01  0.828667D+00
      3  -0.190528D+01  0.157679D+01 -0.128758D+01  0.940445D+00 -0.253454D+01
               296           297           298           299           300 
      1   0.828667D+00 -0.253454D+01 -0.979262D+01 -0.247669D+01  0.266885D+01
      2  -0.757521D+00  0.651405D+00 -0.247669D+01 -0.164764D+01  0.658420D+00
      3   0.651405D+00 -0.155924D+01  0.266885D+01  0.658420D+00 -0.189367D+01
               301           302           303           304           305 
      1  -0.491019D+01 -0.264558D+01  0.157856D+01  0.297365D+01  0.832770D+00
      2  -0.264558D+01 -0.141240D+01  0.129303D+01  0.832770D+00  0.761084D+00
      3   0.157856D+01  0.129303D+01 -0.945549D+00 -0.252281D+01 -0.659537D+00
               306           307           308           309           310 
      1  -0.252281D+01 -0.110862D+01  0.744872D+00  0.106820D+01  0.155754D+01
      2  -0.659537D+00  0.744872D+00 -0.412483D+00 -0.188732D+00 -0.133293D+01
      3   0.154768D+01  0.106820D+01 -0.188732D+00 -0.465103D+00 -0.579165D+00
               311           312           313           314           315 
      1  -0.133293D+01 -0.579165D+00  0.168414D+01 -0.427168D+00 -0.967612D+00
      2   0.417903D+01  0.208413D+01 -0.427168D+00  0.154927D+01  0.148892D+01
      3   0.208413D+01  0.227132D+01 -0.967612D+00  0.148892D+01  0.219858D+01
               316           317           318           319           320 
      1   0.856672D+00  0.777311D+00 -0.148727D-01  0.129668D+01  0.111072D+00
      2   0.777311D+00 -0.779252D-01 -0.383782D+00  0.111072D+00 -0.751471D+00
      3  -0.148727D-01 -0.383782D+00  0.684136D+00 -0.450293D+00  0.585611D+00
               321           322           323           324           325 
      1  -0.450293D+00  0.195136D+01  0.281655D+00 -0.102756D+01  0.508000D+00
      2   0.585611D+00  0.281655D+00  0.102773D+01 -0.120334D+01 -0.433540D+00
      3   0.363476D+00 -0.102756D+01 -0.120334D+01  0.737959D+01 -0.847676D+00
               326           327           328           329           330 
      1  -0.433540D+00 -0.847676D+00 -0.268663D+01 -0.123480D+01  0.949565D+00
      2  -0.105779D+01 -0.143166D+00 -0.123480D+01 -0.596549D+01  0.984087D+00
      3  -0.143166D+00  0.211082D+00  0.949565D+00  0.984087D+00 -0.130601D+01
               331           332           333 
      1  -0.183028D+01 -0.426931D+00  0.565633D+00
      2  -0.426931D+00 -0.438285D-02 -0.500376D+00
      3   0.565633D+00 -0.500376D+00  0.265331D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.218919D+01 -0.263177D+00 -0.142003D-01  0.460403D+00 -0.223149D+01
      2  -0.239018D+01 -0.710026D+01  0.787500D+01 -0.763287D+01 -0.851293D+01
      3  -0.777123D+01 -0.223886D+01  0.334676D+01  0.176312D+01  0.106467D+02
                 6             7             8             9            10 
      1  -0.438426D+01  0.875899D+00 -0.597560D+00 -0.425620D+00  0.220059D+01
      2  -0.628109D+01  0.235186D+01 -0.327707D+00 -0.119823D+00  0.243868D+01
      3   0.910600D+01  0.356350D+01  0.979802D+01  0.340122D+01  0.780305D+01
                11            12            13            14            15 
      1   0.329806D+00 -0.555745D-02 -0.395823D+00 -0.224463D+01 -0.439683D+01
      2  -0.713906D+01  0.787020D+01 -0.769717D+01  0.843202D+01  0.628271D+01
      3  -0.209688D+01  0.339929D+01  0.190546D+01 -0.106309D+02 -0.909132D+01
                16            17            18            19            20 
      1  -0.884085D+00 -0.590680D+00 -0.417585D+00  0.300129D+00  0.689391D+01
      2   0.231792D+01  0.314250D+00  0.137225D+00 -0.152868D+02  0.626486D+00
      3   0.361739D+01 -0.979483D+01 -0.338541D+01 -0.849789D+01  0.450862D+01
                21            22            23            24            25 
      1   0.105103D+01  0.165664D+02  0.148366D+02 -0.932532D+01  0.927092D+01
      2  -0.332354D+01 -0.152549D+01 -0.264184D+01 -0.637594D+00 -0.222592D+02
      3  -0.298532D+00  0.233962D+02  0.164670D+02 -0.862761D+01  0.222028D+01
                26            27            28            29            30 
      1   0.599667D+01 -0.124212D+02 -0.253711D+01 -0.700743D-02  0.111280D-01
      2  -0.819969D+01  0.210462D+02 -0.166912D-01  0.216629D+01  0.520424D+00
      3  -0.275930D+01  0.761093D+00 -0.247352D-02 -0.725073D+00  0.125510D+01
                31            32            33            34            35 
      1  -0.265856D-01  0.847439D+00 -0.826091D-01 -0.862949D-04 -0.221721D+01
      2   0.182269D-01 -0.179144D-02 -0.970023D-02  0.312628D+01  0.101021D-01
      3  -0.127627D+01  0.147295D-01  0.273434D-01  0.599338D+00  0.845432D-02
                36            37            38            39            40 
      1   0.164272D+00 -0.800916D+01  0.737209D+01  0.761712D+01  0.954727D+01
      2  -0.114071D-01 -0.176368D+02 -0.787029D+01  0.744482D+01  0.161845D+01
      3  -0.113860D-02 -0.227741D+02 -0.339854D+01  0.124617D+02  0.150674D+02
                41            42            43            44            45 
      1   0.911193D+01 -0.265434D+01  0.113159D+02  0.819871D+01 -0.733892D+01
      2  -0.259299D+00 -0.951609D+01 -0.159297D+02 -0.160869D+02  0.170812D+02
      3   0.137435D+02 -0.605359D+01  0.555111D+01 -0.512299D+01  0.264599D+01
                46            47            48            49            50 
      1   0.646018D+01 -0.376908D+01  0.319341D+01 -0.265350D+01 -0.689206D+01
      2  -0.416666D+01  0.507901D+01 -0.246932D+01  0.325077D+01  0.485403D+01
      3  -0.449843D+01  0.131067D+01 -0.901257D+01  0.788172D+01 -0.216687D+01
                51            52            53            54            55 
      1  -0.720114D+01  0.186096D+01 -0.312766D+01  0.120351D+01 -0.845417D+00
      2   0.350159D+01 -0.460512D+01  0.403871D+01 -0.123883D+01 -0.913135D+00
      3  -0.359495D+01 -0.131326D+02 -0.138020D+01 -0.592908D+01  0.690933D+01
                56            57            58            59            60 
      1   0.768481D+01 -0.769894D+01  0.956176D+01  0.137680D+01 -0.598048D+00
      2  -0.345540D+01  0.473360D+01 -0.318403D+01  0.107036D+01  0.816273D+00
      3  -0.627115D+01  0.167388D+01 -0.102795D+00 -0.714400D+00 -0.932286D+01
                61            62            63            64            65 
      1  -0.685079D+01  0.112998D+01 -0.138607D+01  0.690692D+00  0.249818D+01
      2   0.303024D+00  0.885978D+00  0.411289D+00 -0.288540D+01  0.158330D+02
      3   0.574543D+01 -0.117872D+02  0.633696D+01  0.351508D+00 -0.285904D+02
                66            67            68            69            70 
      1   0.704108D+01 -0.347100D+01 -0.152781D+02  0.261843D+01  0.675436D+01
      2   0.109137D+02  0.892569D+01 -0.404710D+01 -0.485436D+01  0.124734D+01
      3  -0.116872D+02 -0.894236D+01  0.871516D+01  0.797016D+01 -0.680155D+01
                71            72            73            74            75 
      1   0.263306D+02  0.176393D+02  0.344705D+00 -0.695506D+01 -0.983472D+00
      2  -0.110809D+01  0.198207D+01  0.153615D+02  0.630478D+00 -0.325362D+01
      3   0.225886D+01 -0.255664D+01  0.842499D+01  0.457183D+01 -0.313374D+00
                76            77            78            79            80 
      1  -0.165981D+02  0.147496D+02 -0.930247D+01 -0.921623D+01  0.597028D+01
      2  -0.155506D+01  0.270819D+01  0.622613D+00 -0.222432D+02  0.818213D+01
      3   0.234061D+02 -0.163589D+02  0.859314D+01  0.222609D+01  0.275819D+01
                81            82            83            84            85 
      1  -0.123452D+02 -0.801481D+01 -0.739174D+01 -0.767398D+01 -0.960465D+01
      2  -0.210993D+02  0.175563D+02 -0.787340D+01  0.739116D+01  0.165772D+01
      3  -0.795699D+00  0.226796D+02 -0.333525D+01  0.124766D+02  0.151798D+02
                86            87            88            89            90 
      1   0.905874D+01 -0.270654D+01 -0.113044D+02  0.809947D+01 -0.728861D+01
      2   0.226306D+00  0.957631D+01 -0.159887D+02  0.160687D+02 -0.170568D+02
      3  -0.137229D+02  0.612276D+01  0.553727D+01  0.516462D+01 -0.264693D+01
                91            92            93            94            95 
      1   0.642081D+01  0.380946D+01 -0.312246D+01  0.269789D+01 -0.681561D+01
      2   0.416913D+01  0.513272D+01 -0.243484D+01  0.328042D+01 -0.480674D+01
      3   0.448129D+01  0.137662D+01 -0.903432D+01  0.789833D+01  0.220616D+01
                96            97            98            99           100 
      1  -0.722261D+01 -0.179893D+01 -0.315438D+01  0.117967D+01 -0.761244D+00
      2  -0.356463D+01 -0.456446D+01 -0.410276D+01  0.123028D+01  0.946153D+00
      3   0.352474D+01 -0.131218D+02  0.128601D+01  0.592917D+01 -0.685782D+01
               101           102           103           104           105 
      1  -0.772497D+01  0.763607D+01 -0.959833D+01  0.136548D+01 -0.516548D+00
      2  -0.348049D+01  0.475440D+01 -0.322048D+01 -0.108770D+01 -0.798992D+00
      3  -0.635323D+01  0.162301D+01 -0.147694D+00  0.632576D+00  0.935349D+01
               106           107           108           109           110 
      1   0.679017D+01  0.120414D+01 -0.134675D+01  0.666076D+00 -0.250163D+01
      2   0.314781D+00 -0.880621D+00 -0.407959D+00  0.280599D+01  0.158124D+02
      3   0.567414D+01  0.118467D+02 -0.628567D+01 -0.226208D+00 -0.285421D+02
               111           112           113           114           115 
      1  -0.708656D+01  0.350874D+01 -0.153226D+02  0.253386D+01 -0.683726D+01
      2   0.108611D+02  0.893799D+01  0.408901D+01  0.490816D+01  0.121266D+01
      3  -0.116450D+02 -0.890389D+01 -0.884387D+01 -0.801405D+01 -0.677563D+01
               116           117           118           119           120 
      1   0.263037D+02  0.176611D+02 -0.450504D+01  0.100803D+01 -0.312870D+01
      2   0.119662D+01 -0.192831D+01  0.533542D+01 -0.104235D+01  0.538222D+01
      3  -0.228451D+01  0.254352D+01  0.120584D+02 -0.446524D+01  0.503230D+01
               121           122           123           124           125 
      1   0.155342D+01 -0.110613D+01  0.749863D+00 -0.442602D+01  0.225690D+01
      2  -0.190012D+01  0.145925D+01 -0.219890D+01  0.457621D+01 -0.632743D+00
      3  -0.388313D+01  0.708310D+01 -0.300154D+01  0.840240D+01 -0.490328D+01
               126           127           128           129           130 
      1  -0.613890D+01  0.142203D+01  0.908185D+00 -0.350602D+01  0.181808D+01
      2   0.714489D+01 -0.660899D+00 -0.108653D+01  0.349468D+01 -0.170603D+01
      3   0.505980D+01  0.453990D+01 -0.379067D+00 -0.863134D+00  0.755443D+00
               131           132           133           134           135 
      1   0.924788D+00 -0.395453D+01 -0.166647D+01  0.344167D+00  0.523281D+01
      2  -0.227179D+01  0.344820D+01  0.964072D+00  0.186417D+01 -0.480689D+01
      3  -0.562508D+01  0.862815D+00  0.129226D+01  0.391935D+01  0.146349D+00
               136           137           138           139           140 
      1   0.471954D+01 -0.350525D+01  0.513301D+01 -0.243626D+01  0.367949D+01
      2  -0.981602D+00  0.693617D+00  0.324054D+00  0.583438D+00 -0.744825D+00
      3  -0.122800D+02  0.367586D+01 -0.523578D+01  0.429941D+01 -0.695629D+01
               141           142           143           144           145 
      1  -0.389954D+01  0.445235D+01 -0.434111D+01  0.922600D+01 -0.438908D+00
      2   0.201070D+00 -0.225900D+01  0.516360D+00 -0.169836D+01 -0.378070D+00
      3   0.279212D+01 -0.844987D+01  0.478465D+01 -0.508455D+01  0.318879D+01
               146           147           148           149           150 
      1  -0.203143D+01 -0.185194D+01 -0.844705D+00 -0.341871D+01 -0.668203D+01
      2   0.419158D-01  0.855895D+00 -0.479207D+00  0.102950D+01  0.194257D+01
      3   0.377684D+01  0.102370D+01  0.503042D+01 -0.205250D+01 -0.335956D+00
               151           152           153           154           155 
      1  -0.425500D+00 -0.215802D+01 -0.660052D+01  0.467534D+01  0.352195D+01
      2  -0.140937D+01  0.306689D+00  0.203460D+01  0.980016D+00  0.705761D+00
      3   0.255557D+01  0.308628D+01 -0.267004D+00  0.122345D+02  0.373236D+01
               156           157           158           159           160 
      1  -0.510801D+01  0.244890D+01  0.370840D+01 -0.393885D+01 -0.440826D+01
      2   0.312872D+00  0.595043D+00  0.754928D+00 -0.215390D+00 -0.225835D+01
      3  -0.520528D+01  0.434781D+01  0.701575D+01 -0.281339D+01 -0.841543D+01
               161           162           163           164           165 
      1  -0.437609D+01  0.919836D+01 -0.460233D+00  0.204531D+01  0.189033D+01
      2  -0.544409D+00  0.172331D+01  0.381426D+00  0.524718D-01  0.874615D+00
      3  -0.482595D+01  0.506738D+01 -0.323696D+01  0.376170D+01  0.103195D+01
               166           167           168           169           170 
      1   0.872111D+00 -0.342475D+01 -0.667093D+01  0.455914D+00 -0.217269D+01
      2  -0.469133D+00 -0.104975D+01 -0.196629D+01 -0.140885D+01 -0.317759D+00
      3   0.500070D+01  0.207745D+01  0.332044D+00  0.258106D+01 -0.308896D+01
               171           172           173           174           175 
      1  -0.663311D+01 -0.447050D+01 -0.102037D+01  0.309707D+01 -0.156156D+01
      2  -0.207196D+01 -0.533604D+01 -0.107111D+01  0.537640D+01 -0.192532D+01
      3   0.250899D+00 -0.120443D+02 -0.451421D+01  0.502427D+01 -0.392528D+01
               176           177           178           179           180 
      1  -0.111990D+01  0.762949D+00  0.438471D+01  0.228920D+01 -0.609740D+01
      2  -0.148501D+01  0.223422D+01  0.457756D+01  0.673994D+00 -0.714897D+01
      3  -0.715438D+01  0.302964D+01  0.837814D+01  0.495151D+01 -0.506107D+01
               181           182           183           184           185 
      1   0.142350D+01 -0.900766D+00  0.350381D+01 -0.180632D+01  0.898302D+00
      2   0.670010D+00 -0.109240D+01  0.351665D+01 -0.171354D+01  0.225430D+01
      3  -0.454946D+01 -0.420383D+00 -0.856889D+00  0.715828D+00  0.562563D+01
               186           187           188           189           190 
      1  -0.392974D+01  0.165351D+01  0.358553D+00  0.520534D+01  0.459603D+01
      2  -0.344791D+01  0.963628D+00 -0.184466D+01  0.481289D+01 -0.323384D+01
      3  -0.860541D+00  0.129887D+01 -0.389506D+01 -0.148771D+00 -0.729405D+01
               191           192           193           194           195 
      1   0.413453D+01  0.319410D+01  0.429109D+01  0.561501D+01  0.195036D+01
      2  -0.105932D+01  0.673500D+00 -0.456829D+01  0.475974D+00 -0.424897D+00
      3  -0.594638D+01 -0.356051D+01 -0.636206D+01 -0.666891D+01 -0.354025D+01
               196           197           198           199           200 
      1   0.219664D+01  0.223357D+01  0.275441D+01  0.155922D+01 -0.178761D+01
      2   0.629146D+00  0.581546D+00  0.121909D+01 -0.370977D+00  0.238791D+01
      3  -0.208356D+01 -0.834840D+00 -0.301778D+01 -0.200849D+01  0.241900D+01
               201           202           203           204           205 
      1  -0.675856D+00  0.431040D+00 -0.518610D+00 -0.680708D+00 -0.948757D-02
      2  -0.561908D+01  0.149278D+01  0.178047D+01 -0.281744D+01 -0.169307D+01
      3  -0.275321D+01  0.133689D+01  0.139475D+01 -0.187810D+01 -0.226365D+00
               206           207           208           209           210 
      1   0.142879D+01  0.414798D+01 -0.303268D+01  0.312128D+01 -0.191030D+01
      2  -0.291344D+01  0.117965D+02 -0.835482D+01 -0.363423D+01 -0.320330D+01
      3  -0.235204D+01  0.245715D+01  0.122528D+02  0.338312D+01  0.562119D+01
               211           212           213           214           215 
      1   0.188450D+00 -0.754738D+00 -0.162959D+01 -0.239498D+01 -0.566739D+00
      2  -0.189350D+01 -0.107539D+01 -0.114098D+01 -0.255019D+01 -0.487015D+00
      3   0.296897D+01  0.199272D+01  0.135974D+01  0.227475D+01  0.140397D+01
               216           217           218           219           220 
      1  -0.244610D+01 -0.234157D+01 -0.407626D+00  0.504311D+01 -0.338513D+00
      2  -0.187039D+01  0.191667D+01 -0.156959D+01 -0.163305D+01  0.659436D+00
      3   0.305597D+01 -0.236997D+01  0.112613D+01  0.306332D+01  0.371167D-02
               221           222           223           224           225 
      1   0.629313D+00  0.281223D+01  0.233843D+01  0.931244D-01 -0.120304D+02
      2  -0.199792D+01 -0.129676D+01 -0.261408D+01  0.645952D+00  0.192875D+01
      3   0.288095D+01  0.139362D+01  0.226512D+01 -0.103023D+01 -0.256639D+01
               226           227           228           229           230 
      1   0.364341D+00 -0.873597D+00  0.747741D+00  0.215254D+01 -0.102872D+02
      2   0.128377D+01  0.722393D+00  0.150708D+01  0.290672D+01  0.557652D+00
      3   0.705145D+00  0.445791D+00 -0.469659D+00  0.118659D+01  0.125123D+02
               231           232           233           234           235 
      1  -0.356362D-01  0.217336D+01 -0.215975D+01  0.609932D-01 -0.143580D+01
      2  -0.955063D+00  0.196640D+01 -0.189173D+01  0.929666D+00  0.152776D+01
      3  -0.145632D+01  0.371146D+00  0.193743D+01  0.572690D+00  0.166873D+01
               236           237           238           239           240 
      1   0.676967D+00 -0.177900D+01  0.814349D+00  0.110369D+00  0.166445D+01
      2   0.110867D+01 -0.252554D+01 -0.393173D+00  0.161317D+01  0.712975D+00
      3  -0.736528D+00 -0.402868D+00 -0.569470D-01  0.645481D+00 -0.173758D+01
               241           242           243           244           245 
      1   0.151701D+01  0.682187D+00  0.708961D+01 -0.304509D+01 -0.310521D+01
      2  -0.165634D+01 -0.269435D+01  0.142097D+02  0.835023D+01 -0.362708D+01
      3  -0.238134D+01 -0.145268D+01  0.144025D+01 -0.122616D+02  0.335208D+01
               246           247           248           249           250 
      1   0.193751D+01 -0.187283D+00 -0.771672D+00 -0.162872D+01  0.240863D+01
      2  -0.319935D+01 -0.186882D+01  0.105140D+01  0.112552D+01 -0.254236D+01
      3   0.562764D+01  0.293185D+01 -0.197809D+01 -0.134405D+01  0.228174D+01
               251           252           253           254           255 
      1  -0.559807D+00 -0.245671D+01 -0.234418D+01  0.401911D+00 -0.506189D+01
      2   0.484347D+00  0.186528D+01 -0.193106D+01 -0.158515D+01 -0.165564D+01
      3  -0.140809D+01 -0.306527D+01  0.237828D+01  0.114926D+01  0.307739D+01
               256           257           258           259           260 
      1   0.324709D+00  0.608670D+00  0.277364D+01 -0.234034D+01  0.727545D-01
      2   0.644365D+00  0.199673D+01  0.129757D+01 -0.262326D+01 -0.659303D+00
      3   0.198676D-01 -0.287090D+01 -0.138199D+01  0.226809D+01  0.104207D+01
               261           262           263           264           265 
      1  -0.120205D+02  0.461450D+01 -0.413987D+01 -0.318153D+01 -0.427348D+01
      2  -0.197430D+01  0.328062D+01 -0.107631D+01  0.665837D+00 -0.458763D+01
      3   0.257946D+01  0.735609D+01 -0.597635D+01 -0.355585D+01 -0.637808D+01
               266           267           268           269           270 
      1   0.560224D+01  0.191524D+01 -0.218550D+01  0.221143D+01  0.272977D+01
      2  -0.452401D+00  0.431126D+00  0.639700D+00 -0.571181D+00 -0.120490D+01
      3   0.666934D+01  0.350499D+01 -0.206452D+01  0.808559D+00  0.299808D+01
               271           272           273           274           275 
      1   0.153977D+01  0.177603D+01  0.697240D+00 -0.431228D+00 -0.502256D+00
      2   0.382180D+00  0.239307D+01 -0.561622D+01  0.149398D+01 -0.175837D+01
      3   0.200494D+01  0.241792D+01 -0.274287D+01  0.134207D+01 -0.136927D+01
               276           277           278           279           280 
      1  -0.682018D+00  0.859846D-02  0.142857D+01  0.420126D+01  0.773165D+00
      2   0.277459D+01 -0.168127D+01  0.290174D+01 -0.118187D+02  0.400369D+01
      3   0.186077D+01 -0.224030D+00  0.235216D+01 -0.244024D+01 -0.290217D+01
               281           282           283           284           285 
      1   0.727022D-01  0.144125D+00  0.134989D+01  0.526357D+01  0.655758D+00
      2  -0.551422D+00  0.341860D+00 -0.506228D+00  0.619485D+01  0.823020D+01
      3  -0.879276D+00 -0.511659D+00 -0.141060D+01 -0.161536D+02 -0.754605D+01
               286           287           288           289           290 
      1   0.136529D+00  0.299208D+01  0.118860D+01 -0.123479D+01  0.152845D+01
      2  -0.360165D+00  0.524852D+01  0.634128D+01 -0.141165D+01 -0.174732D+00
      3  -0.120375D+01 -0.579797D+01 -0.589921D+01  0.422284D+01 -0.631902D+01
               291           292           293           294           295 
      1  -0.583610D-01  0.168770D+01 -0.139888D+01 -0.698242D-01 -0.196742D-01
      2   0.567890D+01  0.435979D+01  0.114744D+01 -0.122597D+01  0.251313D+01
      3   0.191858D+01 -0.309423D+01  0.464541D+01 -0.336653D+01 -0.280472D+00
               296           297           298           299           300 
      1   0.130957D+01  0.538270D-01 -0.123196D+01 -0.152356D+01  0.337994D-01
      2  -0.160977D+01  0.276570D+01  0.139138D+01 -0.169216D+00  0.567281D+01
      3  -0.311361D+01  0.101151D+01 -0.421409D+01 -0.633268D+01  0.190464D+01
               301           302           303           304           305 
      1  -0.171017D+01 -0.140695D+01 -0.800370D-01  0.111726D-01  0.129762D+01
      2   0.438048D+01 -0.113029D+01  0.125258D+01  0.251057D+01  0.162401D+01
      3  -0.311443D+01 -0.470321D+01  0.337068D+01 -0.285192D+00  0.310660D+01
               306           307           308           309           310 
      1   0.617042D-01  0.787058D+00 -0.998582D-01 -0.149219D+00 -0.137300D+01
      2  -0.274228D+01 -0.399261D+01 -0.528690D+00  0.387113D+00 -0.481141D+00
      3  -0.101504D+01  0.290092D+01 -0.962974D+00 -0.552534D+00 -0.150341D+01
               311           312           313           314           315 
      1   0.526318D+01  0.672048D+00 -0.151012D+00  0.300301D+01  0.120190D+01
      2  -0.616637D+01 -0.822596D+01 -0.324915D+00 -0.523226D+01 -0.633541D+01
      3   0.161482D+02  0.753902D+01 -0.123528D+01  0.579499D+01  0.589440D+01
               316           317           318           319           320 
      1  -0.142352D+01 -0.687313D+00  0.177505D+01 -0.827558D+00  0.114791D+00
      2  -0.152599D+01  0.109469D+01 -0.250211D+01 -0.399863D+00 -0.160652D+01
      3  -0.167263D+01 -0.748902D+00 -0.395685D+00 -0.754446D-01 -0.640787D+00
               321           322           323           324           325 
      1   0.168996D+01 -0.152040D+01  0.672409D+00  0.714914D+01  0.385146D+00
      2  -0.744687D+00 -0.165640D+01  0.266861D+01 -0.141884D+02 -0.130848D+01
      3   0.173986D+01 -0.238871D+01  0.143674D+01 -0.141064D+01 -0.698556D+00
               326           327           328           329           330 
      1   0.911539D+00 -0.750747D+00 -0.213574D+01 -0.102848D+02 -0.214421D-01
      2   0.720556D+00  0.150229D+01  0.290181D+01 -0.599514D+00  0.964429D+00
      3   0.492623D+00 -0.482131D+00  0.120465D+01 -0.125064D+02  0.148288D+01
               331           332           333 
      1  -0.216621D+01 -0.215384D+01  0.617032D-01
      2   0.194817D+01  0.189250D+01 -0.935951D+00
      3   0.366427D+00 -0.191343D+01 -0.575331D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.260509D+02  0.263195D+02 -0.227603D+02  0.318864D+02 -0.361573D+01
      2   0.168865D+02 -0.151834D+02  0.114756D+02 -0.185734D+02  0.351271D+01
      3   0.916444D+01 -0.111361D+02  0.112848D+02 -0.133130D+02  0.103020D+00
      4   0.235966D+02 -0.680454D+01  0.423023D+01 -0.907948D+01 -0.112208D+02
      5  -0.226223D+02  0.570222D+01 -0.822046D+01  0.101485D+02 -0.187331D+02
      6   0.755706D+01 -0.770717D+00 -0.664017D+00 -0.469145D+01 -0.492104D+01
                 6             7             8             9            10 
      1   0.783042D+01 -0.148421D+02  0.530087D+01 -0.436569D+01 -0.256794D+02
      2  -0.479903D+01  0.649375D+01 -0.336949D+01  0.269877D+00  0.165616D+02
      3  -0.303139D+01  0.834830D+01 -0.193138D+01  0.409582D+01  0.911780D+01
      4  -0.161613D+02  0.463657D+01 -0.136451D+02 -0.339320D+01 -0.237230D+02
      5  -0.539120D+01 -0.792536D+01 -0.349295D+01  0.263861D+01  0.224710D+02
      6  -0.631543D+01  0.158271D+00 -0.558915D+01 -0.160679D+01  0.758799D+01
                11            12            13            14            15 
      1  -0.263586D+02  0.226875D+02 -0.319730D+02 -0.405672D+01  0.771443D+01
      2   0.151649D+02 -0.113921D+02  0.185827D+02  0.377230D+01 -0.469297D+01
      3   0.111937D+02 -0.112954D+02  0.133903D+02  0.284413D+00 -0.302146D+01
      4  -0.716918D+01  0.423702D+01 -0.951660D+01  0.111373D+02  0.162344D+02
      5   0.562886D+01 -0.813940D+01  0.100644D+02  0.188257D+02  0.540614D+01
      6   0.849924D+00  0.687616D+00  0.479810D+01 -0.481711D+01 -0.626798D+01
                16            17            18            19            20 
      1   0.147449D+02  0.516462D+01 -0.430110D+01  0.199008D+02  0.137984D+02
      2  -0.640333D+01 -0.325134D+01  0.255624D+00 -0.196757D+02 -0.100633D+02
      3  -0.834161D+01 -0.191328D+01  0.404548D+01 -0.225147D+00 -0.373501D+01
      4   0.459684D+01  0.137005D+02  0.339407D+01  0.520887D+01 -0.939387D+00
      5  -0.787108D+01  0.350702D+01 -0.266195D+01 -0.124954D+02 -0.334032D+01
      6  -0.133789D+00 -0.556912D+01 -0.160449D+01 -0.777197D+01  0.135494D+01
                21            22            23            24            25 
      1  -0.134159D+02  0.556949D+01  0.332729D+01  0.166171D+01 -0.553275D+01
      2   0.123565D+02 -0.447647D+01 -0.977936D+01  0.548976D+00  0.590894D+01
      3   0.105947D+01 -0.109303D+01  0.645207D+01 -0.221069D+01 -0.376192D+00
      4  -0.101832D+01 -0.918449D+00 -0.126806D+02 -0.128151D+01 -0.896878D+00
      5   0.803584D+01 -0.167572D+01 -0.251605D+01  0.162013D+01  0.557673D+01
      6   0.162207D+01  0.191135D+00  0.501840D+01  0.313721D+01  0.224164D+00
                26            27            28            29            30 
      1  -0.614206D+00  0.117861D+02 -0.121216D+02 -0.556266D-02  0.221398D-01
      2  -0.630451D+00  0.446870D+01  0.260842D+01  0.276837D-03 -0.268986D-01
      3   0.124466D+01 -0.162548D+02  0.951314D+01  0.528583D-02  0.475888D-02
      4   0.605776D+00 -0.176795D+01 -0.570457D-03 -0.635002D+01 -0.496824D+01
      5  -0.480108D+00  0.778697D+01  0.187253D-01 -0.290838D+01 -0.211280D+01
      6   0.278449D+01  0.305168D+01 -0.261266D+01 -0.535738D-02  0.628584D-02
                31            32            33            34            35 
      1  -0.145034D-01  0.241984D+01 -0.527610D+01  0.175996D-01 -0.815788D+01
      2   0.120509D-01 -0.112534D+02  0.656401D+01 -0.228203D-01  0.892115D+01
      3   0.245242D-02  0.883360D+01 -0.128791D+01  0.522074D-02 -0.763274D+00
      4  -0.790778D+01  0.314232D-02 -0.244064D-01 -0.833404D+01 -0.159693D-01
      5  -0.268234D+01 -0.647193D-02 -0.678233D-02  0.504717D+01 -0.394401D-02
      6  -0.497403D-02  0.349818D+01 -0.190334D+01  0.883366D-02  0.381362D+01
                36            37            38            39            40 
      1  -0.140523D+00 -0.835326D+01  0.145309D+01  0.109435D+02  0.465784D+00
      2  -0.198796D+00  0.129632D+02 -0.343113D+01 -0.826273D+01  0.153660D+01
      3   0.339319D+00 -0.460993D+01  0.197803D+01 -0.268082D+01 -0.200238D+01
      4  -0.440747D-02  0.128796D+02  0.759305D+01 -0.889817D+01  0.120292D+02
      5   0.134103D-01  0.288725D+01 -0.120220D+02  0.228649D+01 -0.115898D+02
      6  -0.759116D+00 -0.423661D+01 -0.568542D+01  0.686906D+01 -0.485211D+01
                41            42            43            44            45 
      1  -0.675589D+01 -0.534894D+01  0.923753D+01 -0.550540D+01  0.646524D+01
      2   0.632930D+01 -0.484549D+01 -0.486974D+01 -0.767688D+00  0.306972D+01
      3   0.426595D+00  0.101944D+02 -0.436779D+01  0.627309D+01 -0.953496D+01
      4   0.109855D+02 -0.104161D+02 -0.283928D+01 -0.604579D+01  0.296396D+01
      5  -0.522260D+01  0.387158D+01  0.120216D+01  0.111641D+01  0.193858D+01
      6  -0.358994D+01  0.943769D+00  0.431740D+01 -0.363323D+00  0.698264D+01
                46            47            48            49            50 
      1  -0.867101D+01  0.156532D+01 -0.136939D+02  0.233728D+01 -0.128877D+01
      2   0.228774D+01 -0.247496D+01  0.179529D+02 -0.786955D+01 -0.456244D+00
      3   0.638327D+01  0.909647D+00 -0.425901D+01  0.553226D+01  0.174501D+01
      4  -0.146085D+02 -0.899925D+01  0.921295D+01 -0.167884D+02 -0.132378D+02
      5  -0.310755D+01  0.136604D+02 -0.920687D+01  0.145560D+02  0.135923D+02
      6   0.243132D+01  0.156272D+02 -0.102201D+02  0.160953D+02  0.132646D+02
                51            52            53            54            55 
      1   0.603382D+01 -0.160270D+02  0.707417D+01 -0.937445D+01  0.457621D+01
      2   0.789541D+01  0.200231D+02  0.528032D+01  0.465675D+01 -0.479932D+01
      3  -0.139292D+02 -0.399610D+01 -0.123545D+02  0.471770D+01  0.223102D+00
      4   0.214587D+02  0.134777D+02  0.248936D+02 -0.118357D+02  0.313979D+01
      5  -0.206791D+01 -0.137075D+02 -0.452525D+01  0.150940D+01  0.123894D+01
      6  -0.547269D+01 -0.128438D+02 -0.577790D+01  0.256217D+01  0.469644D+01
                56            57            58            59            60 
      1   0.497232D+01  0.107496D+02  0.206066D+01  0.189833D+02  0.400364D+01
      2  -0.822701D+01 -0.203320D+02 -0.745167D+00 -0.286627D+02 -0.154363D+02
      3   0.325469D+01  0.958236D+01 -0.131549D+01  0.967946D+01  0.114327D+02
      4  -0.990288D+01  0.189046D-01 -0.360147D+01 -0.129577D+02 -0.212251D+02
      5  -0.325388D+01 -0.895298D+00 -0.349819D+01 -0.957858D+01 -0.448423D+01
      6  -0.187738D+02  0.377007D+01 -0.178855D+02 -0.212656D+02 -0.120311D+02
                61            62            63            64            65 
      1   0.134650D+02  0.874568D+01  0.108306D+02  0.220281D+01 -0.610358D+01
      2  -0.215950D+02 -0.194610D+02 -0.148485D+02 -0.105966D+01  0.641039D+01
      3   0.812998D+01  0.107153D+02  0.401784D+01 -0.114316D+01 -0.306808D+00
      4   0.186119D+01 -0.245862D+02  0.136152D+01  0.841465D+01  0.208959D+01
      5  -0.278889D+00 -0.393646D+01 -0.138689D+01  0.295379D+01 -0.299314D+01
      6   0.428633D+01 -0.174542D+02 -0.133283D+01 -0.692843D+01  0.875542D+01
                66            67            68            69            70 
      1  -0.126837D+01 -0.578223D+01 -0.120179D+02 -0.509490D+01 -0.241955D+01
      2   0.113420D+02  0.245711D+01  0.150588D+02  0.802191D+01  0.100129D+02
      3  -0.100736D+02  0.332512D+01 -0.304093D+01 -0.292701D+01 -0.759339D+01
      4  -0.278297D+01 -0.208938D+01  0.178690D+02  0.127131D+02 -0.312541D+01
      5  -0.372649D+01 -0.199724D+01  0.183788D+01  0.286088D+01 -0.246869D+01
      6   0.120723D+00  0.946265D+01  0.126793D+02  0.612605D+01 -0.146374D+01
                71            72            73            74            75 
      1  -0.197247D+01  0.126481D+01  0.199793D+02 -0.137380D+02  0.133752D+02
      2   0.120374D+01  0.690914D+01 -0.197208D+02  0.100400D+02 -0.123603D+02
      3   0.768732D+00 -0.817394D+01 -0.258510D+00  0.369799D+01 -0.101489D+01
      4   0.617271D+01 -0.764255D+00 -0.502939D+01 -0.111272D+01 -0.933793D+00
      5   0.173878D+01 -0.551870D+01  0.125325D+02 -0.332398D+01  0.808008D+01
      6   0.289999D+01 -0.523092D+01 -0.770933D+01 -0.141514D+01 -0.162439D+01
                76            77            78            79            80 
      1  -0.548846D+01  0.311858D+01  0.168198D+01  0.552595D+01 -0.629811D+00
      2   0.442249D+01 -0.961974D+01  0.458931D+00 -0.591757D+01 -0.693472D+00
      3   0.106597D+01  0.650116D+01 -0.214091D+01  0.391619D+00  0.132328D+01
      4  -0.104549D+01  0.127193D+02  0.129820D+01 -0.860593D+00 -0.593203D+00
      5  -0.163604D+01  0.249275D+01 -0.156367D+01  0.559766D+01  0.518858D+00
      6  -0.252094D+00  0.498870D+01  0.312535D+01 -0.223163D+00  0.277035D+01
                81            82            83            84            85 
      1   0.118383D+02 -0.820586D+01 -0.144751D+01 -0.109051D+02 -0.492825D+00
      2   0.444172D+01  0.128531D+02  0.349812D+01  0.827842D+01 -0.142361D+01
      3  -0.162800D+02 -0.464720D+01 -0.205061D+01  0.262670D+01  0.191643D+01
      4   0.181702D+01 -0.130174D+02  0.760372D+01 -0.902229D+01  0.120363D+02
      5  -0.777042D+01 -0.281375D+01 -0.120891D+02  0.226274D+01 -0.116426D+02
      6   0.308367D+01 -0.427671D+01  0.569054D+01 -0.689466D+01  0.483806D+01
                86            87            88            89            90 
      1  -0.667116D+01 -0.548870D+01 -0.923899D+01 -0.562156D+01  0.643120D+01
      2   0.628733D+01 -0.472716D+01  0.489090D+01 -0.669628D+00  0.301374D+01
      3   0.383825D+00  0.102159D+02  0.434810D+01  0.629119D+01 -0.944494D+01
      4  -0.110055D+02  0.103965D+02 -0.291602D+01  0.602344D+01 -0.295192D+01
      5   0.513781D+01 -0.389997D+01  0.116097D+01 -0.113731D+01 -0.194578D+01
      6  -0.354289D+01  0.868639D+00 -0.434032D+01 -0.407416D+00  0.696477D+01
                91            92            93            94            95 
      1  -0.878535D+01 -0.160495D+01  0.136011D+02 -0.228940D+01 -0.142592D+01
      2   0.236292D+01  0.251320D+01 -0.179507D+02  0.781168D+01 -0.360830D+00
      3   0.642243D+01 -0.908249D+00  0.434959D+01 -0.552228D+01  0.178675D+01
      4   0.146443D+02 -0.904354D+01  0.945423D+01 -0.168495D+02  0.132412D+02
      5   0.298426D+01  0.138092D+02 -0.920141D+01  0.146978D+02 -0.135229D+02
      6   0.257960D+01 -0.156523D+02  0.101547D+02 -0.161023D+02  0.131034D+02
                96            97            98            99           100 
      1   0.627896D+01  0.159068D+02  0.735751D+01 -0.941629D+01  0.464396D+01
      2   0.765717D+01 -0.199620D+02  0.499209D+01  0.474534D+01 -0.488833D+01
      3  -0.139361D+02  0.405523D+01 -0.123496D+02  0.467095D+01  0.244372D+00
      4  -0.214451D+02  0.137321D+02 -0.248371D+02  0.117038D+02 -0.302900D+01
      5   0.203695D+01 -0.137075D+02  0.445421D+01 -0.153271D+01 -0.122683D+01
      6  -0.538765D+01  0.127469D+02 -0.567374D+01  0.256694D+01  0.451077D+01
               101           102           103           104           105 
      1  -0.489395D+01 -0.107832D+02 -0.202156D+01  0.187768D+02  0.375807D+01
      2   0.812460D+01  0.204347D+02  0.682840D+00 -0.283350D+02 -0.150931D+02
      3  -0.323065D+01 -0.965141D+01  0.133872D+01  0.955813D+01  0.113350D+02
      4  -0.100638D+02 -0.228527D+00 -0.368030D+01  0.129495D+02  0.213125D+02
      5  -0.338743D+01 -0.930094D+00 -0.361967D+01  0.962848D+01  0.456064D+01
      6   0.189188D+02 -0.362559D+01  0.179957D+02 -0.210234D+02 -0.120985D+02
               106           107           108           109           110 
      1  -0.135303D+02  0.847955D+01  0.108533D+02  0.220327D+01  0.612756D+01
      2   0.217193D+02 -0.191166D+02 -0.149216D+02 -0.109542D+01 -0.641432D+01
      3  -0.818897D+01  0.106371D+02  0.406833D+01 -0.110786D+01  0.286763D+00
      4   0.158520D+01  0.247438D+02 -0.115344D+01 -0.839408D+01  0.217516D+01
      5  -0.300713D+00  0.405756D+01  0.141782D+01 -0.292821D+01 -0.295644D+01
      6  -0.410862D+01 -0.175551D+02 -0.141563D+01 -0.684632D+01 -0.884548D+01
               111           112           113           114           115 
      1   0.130074D+01  0.583568D+01 -0.117893D+02 -0.499427D+01  0.245324D+01
      2  -0.113771D+02 -0.250269D+01  0.148001D+02  0.783875D+01 -0.100380D+02
      3   0.100763D+02 -0.333299D+01 -0.301075D+01 -0.284448D+01  0.758479D+01
      4  -0.266219D+01 -0.202630D+01 -0.179409D+02 -0.127597D+02 -0.303584D+01
      5  -0.368944D+01 -0.196615D+01 -0.188919D+01 -0.290069D+01 -0.244745D+01
      6  -0.188713D+00 -0.953489D+01  0.126030D+02  0.615040D+01  0.141252D+01
               116           117           118           119           120 
      1  -0.192994D+01  0.125749D+01  0.321433D+02 -0.232793D+01  0.105778D+02
      2   0.110729D+01  0.696090D+01 -0.182651D+02  0.515630D+01 -0.743454D+01
      3   0.822646D+00 -0.821839D+01 -0.138782D+02 -0.282837D+01 -0.314327D+01
      4  -0.621894D+01  0.704500D+00  0.165514D+02  0.740547D+01  0.329795D+01
      5  -0.176776D+01  0.552294D+01  0.107553D+02 -0.173424D+01  0.947908D+01
      6   0.294051D+01 -0.517655D+01  0.512172D+01 -0.664616D+00  0.536450D+01
               121           122           123           124           125 
      1  -0.832648D+01  0.642651D+01 -0.424528D+01  0.172733D+02 -0.306001D+01
      2   0.744054D+01 -0.586552D+01  0.273558D+01 -0.128205D+02  0.465202D+01
      3   0.885935D+00 -0.560987D+00  0.150969D+01 -0.445271D+01 -0.159201D+01
      4   0.381323D+01 -0.346716D+00  0.241051D+00  0.743492D+01  0.220900D+01
      5  -0.333168D+01  0.255233D+01 -0.225854D+01  0.135706D+02  0.173226D+00
      6  -0.166554D+01  0.638928D+00  0.334982D+00  0.785857D+01  0.204499D+01
               126           127           128           129           130 
      1   0.941226D+01  0.145359D+02  0.698953D+01 -0.383670D+01  0.228793D+01
      2  -0.785605D+01  0.224261D+00  0.473301D+01 -0.965183D+00  0.111225D+02
      3  -0.155620D+01 -0.147602D+02 -0.117225D+02  0.480188D+01 -0.134105D+02
      4   0.572959D+01  0.295976D+02  0.240176D+02 -0.128164D+02  0.263660D+02
      5   0.126362D+02 -0.115176D+02 -0.954481D+01  0.100689D+02 -0.903564D+01
      6   0.790067D+01 -0.112946D+02 -0.970634D+01  0.843363D+01 -0.121143D+02
               131           132           133           134           135 
      1  -0.638744D+01  0.143018D+01 -0.238567D+01  0.159483D+01 -0.264694D-01
      2   0.242172D+02 -0.760856D+01 -0.355964D+01 -0.851262D+01  0.242224D+01
      3  -0.178297D+02  0.617838D+01  0.594531D+01  0.691779D+01 -0.239577D+01
      4   0.333204D+02 -0.148333D+02 -0.201737D+02 -0.207377D+02  0.174676D+02
      5  -0.116303D+02  0.795257D+01  0.152105D+02  0.125631D+02 -0.149853D+02
      6  -0.173059D+02  0.126434D+02  0.148728D+02  0.171214D+02 -0.175704D+02
               136           137           138           139           140 
      1  -0.549356D+01  0.859862D+01 -0.379653D+01  0.507609D+01 -0.162594D+02
      2   0.827845D+01 -0.154505D+02  0.647672D+01 -0.834591D+01  0.269685D+02
      3  -0.278488D+01  0.685185D+01 -0.268018D+01  0.326982D+01 -0.107091D+02
      4  -0.147915D+02  0.840247D+01 -0.614164D+01  0.641103D+01 -0.483549D+01
      5   0.152734D+01 -0.389819D+00  0.147527D+01 -0.406009D+00  0.987349D+00
      6  -0.758737D+01  0.683440D+01 -0.749705D+01  0.455223D+01 -0.725393D+01
               141           142           143           144           145 
      1   0.464373D+01 -0.665535D+01  0.969247D+01 -0.870112D+01 -0.204252D+01
      2  -0.636196D+01  0.724044D+01 -0.136971D+02  0.962547D+01  0.854561D+01
      3   0.171823D+01 -0.585088D+00  0.400459D+01 -0.924350D+00 -0.650309D+01
      4   0.384913D+01 -0.870720D+01  0.610689D+01 -0.503395D+01  0.122885D+02
      5   0.415601D+00  0.180901D+01  0.523997D+00 -0.189590D+00  0.335475D+01
      6   0.828167D+01 -0.710536D+01  0.142563D+02 -0.155246D+02  0.572287D+01
               146           147           148           149           150 
      1  -0.256003D+01 -0.176642D+01 -0.409517D+01 -0.334279D+02 -0.115005D+02
      2   0.115173D+02  0.472375D+01  0.113378D+02  0.619509D+02  0.190549D+02
      3  -0.895724D+01 -0.295733D+01 -0.724259D+01 -0.285230D+02 -0.755439D+01
      4   0.195197D+02  0.668951D+01  0.134353D+02  0.267296D+02  0.966287D+01
      5   0.533202D+01  0.453645D+01  0.313260D+01  0.909400D+01  0.507879D+01
      6   0.806243D+01  0.457373D+01  0.729961D+01  0.270962D+02  0.169220D+02
               151           152           153           154           155 
      1  -0.322982D+01 -0.179219D+02 -0.126282D+02 -0.557537D+01 -0.864940D+01
      2   0.629082D+01  0.272871D+02  0.156669D+02  0.835279D+01  0.155059D+02
      3  -0.306100D+01 -0.936515D+01 -0.303866D+01 -0.277742D+01 -0.685648D+01
      4   0.705138D+01  0.159441D+02  0.915010D+01  0.146771D+02  0.839027D+01
      5   0.443191D+01  0.818572D+01  0.698389D+01 -0.147993D+01 -0.363314D+00
      6   0.606013D+01  0.263835D+02  0.200446D+02 -0.752454D+01 -0.683410D+01
               156           157           158           159           160 
      1   0.382121D+01 -0.510912D+01 -0.164270D+02  0.469293D+01  0.668327D+01
      2  -0.650847D+01  0.836575D+01  0.272456D+02 -0.644132D+01 -0.727126D+01
      3   0.268726D+01 -0.325664D+01 -0.108186D+02  0.174840D+01  0.587993D+00
      4  -0.606807D+01  0.642690D+01  0.475663D+01 -0.383090D+01 -0.861021D+01
      5   0.144219D+01 -0.386495D+00 -0.956281D+00 -0.450409D+00  0.177605D+01
      6   0.744340D+01 -0.455454D+01 -0.731408D+01  0.832836D+01  0.702745D+01
               161           162           163           164           165 
      1   0.978559D+01 -0.872980D+01 -0.196811D+01  0.253801D+01  0.176960D+01
      2  -0.138308D+02  0.969409D+01  0.852438D+01 -0.115689D+02 -0.476625D+01
      3   0.404517D+01 -0.964287D+00 -0.655627D+01  0.903089D+01  0.299665D+01
      4  -0.605456D+01  0.493832D+01 -0.124837D+02  0.196376D+02  0.679075D+01
      5  -0.579495D+00  0.251624D+00 -0.343734D+01  0.541509D+01  0.460427D+01
      6   0.142930D+02 -0.154724D+02  0.580574D+01 -0.817188D+01 -0.466850D+01
               166           167           168           169           170 
      1   0.410403D+01 -0.330742D+02 -0.114242D+02  0.325327D+01 -0.178021D+02
      2  -0.114077D+02  0.613875D+02  0.189508D+02 -0.635248D+01  0.271322D+02
      3   0.730366D+01 -0.283132D+02 -0.752669D+01  0.309920D+01 -0.933013D+01
      4   0.135378D+02 -0.269034D+02 -0.977775D+01  0.718582D+01 -0.161348D+02
      5   0.319857D+01 -0.918415D+01 -0.514503D+01  0.451387D+01 -0.830676D+01
      6  -0.739731D+01  0.270299D+02  0.169251D+02 -0.619097D+01  0.263935D+02
               171           172           173           174           175 
      1  -0.125888D+02  0.322382D+02  0.241474D+01 -0.105707D+02  0.843598D+01
      2   0.155993D+02 -0.183610D+02 -0.517860D+01  0.744682D+01 -0.748306D+01
      3  -0.301051D+01 -0.138771D+02  0.276387D+01  0.312384D+01 -0.952921D+00
      4  -0.930745D+01 -0.163663D+02  0.736188D+01  0.320448D+01  0.379370D+01
      5  -0.710906D+01 -0.107327D+02 -0.178715D+01  0.947333D+01 -0.337617D+01
      6   0.201264D+02  0.505429D+01  0.683790D+00 -0.531447D+01  0.168051D+01
               176           177           178           179           180 
      1   0.649031D+01 -0.428800D+01 -0.172910D+02 -0.312733D+01  0.943813D+01
      2  -0.594034D+01  0.275836D+01  0.128521D+02  0.469105D+01 -0.789011D+01
      3  -0.549966D+00  0.152963D+01  0.443885D+01 -0.156372D+01 -0.154802D+01
      4   0.464211D+00 -0.247223D+00  0.728325D+01 -0.219467D+01 -0.562873D+01
      5  -0.257600D+01  0.230353D+01  0.135696D+02 -0.103300D+00 -0.126269D+02
      6   0.627445D+00  0.309030D+00 -0.778740D+01  0.200156D+01  0.782252D+01
               181           182           183           184           185 
      1   0.147938D+02 -0.708543D+01  0.392003D+01 -0.240181D+01 -0.618015D+01
      2   0.837288D-01 -0.467389D+01  0.911294D+00 -0.110471D+02  0.239665D+02
      3  -0.148776D+02  0.117593D+02 -0.483132D+01  0.134489D+02 -0.177863D+02
      4  -0.297541D+02  0.240595D+02 -0.128627D+02  0.264469D+02 -0.333031D+02
      5   0.116151D+02 -0.958237D+01  0.101136D+02 -0.908169D+01  0.116193D+02
      6  -0.113291D+02  0.969729D+01 -0.843286D+01  0.121024D+02 -0.171782D+02
               186           187           188           189           190 
      1   0.132762D+01  0.251916D+01  0.144193D+01  0.973620D-01  0.205512D+02
      2  -0.749528D+01  0.345458D+01 -0.834505D+01  0.230857D+01 -0.167968D+02
      3   0.616766D+01 -0.597374D+01  0.690312D+01 -0.240593D+01 -0.375442D+01
      4   0.148163D+02 -0.202404D+02  0.206931D+02 -0.174571D+02  0.135748D+01
      5  -0.795616D+01  0.152850D+02 -0.125574D+02  0.150191D+02  0.158914D+02
      6   0.125742D+02 -0.148588D+02  0.170099D+02 -0.174846D+02  0.782295D+00
               191           192           193           194           195 
      1   0.513640D+01  0.794747D+01  0.802897D+01  0.558479D+01  0.389877D+01
      2  -0.678280D+01 -0.954991D+01 -0.892485D+01 -0.617707D+01 -0.627678D+01
      3   0.164640D+01  0.160244D+01  0.895875D+00  0.592279D+00  0.237801D+01
      4   0.640652D+01  0.156691D+01  0.126975D+01  0.752535D+01  0.547684D+00
      5   0.432708D+01  0.107325D+02  0.109774D+02  0.285664D+01  0.765009D+01
      6   0.133909D+01 -0.501153D+00  0.103925D+01  0.268795D+01  0.462778D+00
               196           197           198           199           200 
      1   0.339175D+01  0.128053D+01  0.210116D+01 -0.265812D+01 -0.236356D+01
      2  -0.693971D+01 -0.211002D+01 -0.809461D+01 -0.165518D+01  0.142098D+01
      3   0.354795D+01  0.829496D+00  0.599346D+01  0.431330D+01  0.942587D+00
      4   0.301851D+01  0.274162D+00  0.212626D+01  0.634536D+01 -0.291843D+01
      5   0.800499D+01  0.365235D+01  0.893990D+01 -0.239246D+01  0.211926D+01
      6   0.387555D+00  0.137700D+01 -0.677252D+00 -0.219409D-01 -0.327679D+01
               201           202           203           204           205 
      1   0.719189D+01 -0.393250D+00 -0.514107D+01  0.637295D+01  0.246301D+01
      2   0.104555D+01 -0.449895D+00  0.195473D+01 -0.101978D+01 -0.150040D+01
      3  -0.823744D+01  0.843145D+00  0.318634D+01 -0.535317D+01 -0.962609D+00
      4   0.354105D+00  0.134995D+01 -0.169625D+01  0.561934D+00 -0.314809D+01
      5  -0.189517D+00  0.326178D+00  0.106071D+01 -0.178734D+01  0.441932D+01
      6   0.584768D+01 -0.421105D+00 -0.609396D+01  0.876228D+01 -0.538857D+00
               206           207           208           209           210 
      1   0.558936D+01 -0.183195D+02 -0.172933D+00 -0.768452D+01 -0.448929D+01
      2  -0.231708D-01 -0.114058D+02 -0.181182D+00  0.970623D+01  0.205636D+01
      3  -0.556619D+01  0.297253D+02  0.354114D+00 -0.202171D+01  0.243292D+01
      4   0.303692D+01  0.498671D+00  0.174648D+02  0.773807D+01  0.825386D+01
      5  -0.235892D+01  0.113272D+02  0.911576D+01  0.571719D+01  0.568277D+01
      6   0.738493D+01 -0.175360D+02  0.941630D+01  0.112081D+02  0.101016D+02
               211           212           213           214           215 
      1  -0.216727D+01 -0.311642D+01 -0.181429D+01 -0.170873D+01 -0.141142D+01
      2   0.301806D+01  0.685958D+01  0.150521D+01 -0.700342D+00 -0.142594D+01
      3  -0.850781D+00 -0.374316D+01  0.309078D+00  0.240907D+01  0.283736D+01
      4   0.780203D+01  0.781399D+01  0.498344D+01  0.432229D+01  0.417991D+01
      5   0.296223D+01  0.324804D+01  0.233964D+01  0.460307D+01  0.224842D+01
      6   0.549666D+01  0.514468D+01  0.531460D+01  0.554316D+01  0.501008D+01
               216           217           218           219           220 
      1  -0.403345D+01 -0.560972D+00  0.328588D+01  0.237564D+01  0.290868D+00
      2  -0.190099D+01 -0.365996D+01 -0.411895D+01  0.620473D+01 -0.131938D+01
      3   0.593444D+01  0.422094D+01  0.833066D+00 -0.858037D+01  0.102852D+01
      4   0.553027D+01 -0.355523D+01  0.436030D+01  0.456835D+01  0.479164D+00
      5   0.369967D+01 -0.492737D+01  0.192587D+01  0.841990D+01  0.322788D+00
      6   0.849219D+01  0.444195D+01 -0.311854D+01 -0.694761D+01 -0.963850D-01
               221           222           223           224           225 
      1   0.295167D+01  0.158708D+01  0.177445D+01 -0.492634D+01 -0.119839D+02
      2  -0.624436D+01  0.236256D+01  0.363019D+01  0.285838D+01 -0.162945D+02
      3   0.329269D+01 -0.394963D+01 -0.540464D+01  0.206796D+01  0.282783D+02
      4   0.213710D+01  0.715586D+00  0.355872D+01 -0.196970D+01 -0.290236D+01
      5  -0.136148D+01  0.956512D+00  0.555975D+01 -0.124126D+01 -0.992080D+01
      6  -0.196748D+01  0.687458D+00 -0.326179D+01  0.652961D+01  0.188556D+02
               226           227           228           229           230 
      1  -0.107593D+01 -0.529181D+00 -0.137113D+01 -0.566548D+01 -0.115303D+02
      2   0.455158D+01 -0.231564D+01  0.178429D+01  0.135417D+01  0.210388D+02
      3  -0.347565D+01  0.284482D+01 -0.413168D+00  0.431131D+01 -0.950845D+01
      4  -0.331570D+01  0.531579D+01  0.191120D+00  0.863846D+01 -0.212707D+02
      5  -0.159164D+01 -0.313452D+00 -0.104321D+00 -0.493440D+01  0.281539D+01
      6   0.205372D+00  0.484348D+00 -0.198627D+00  0.389807D+01 -0.122384D+02
               231           232           233           234           235 
      1   0.154049D+01 -0.547090D+01  0.224046D+01 -0.428299D+01 -0.275243D+01
      2  -0.237987D+00  0.366835D+01  0.885156D+00  0.237977D+01 -0.158752D+00
      3  -0.130250D+01  0.180255D+01 -0.312561D+01  0.190322D+01  0.291119D+01
      4   0.442584D+01  0.175236D+01 -0.214444D+01 -0.208991D+01  0.965287D+00
      5  -0.461780D+01 -0.134542D+01 -0.192734D+01  0.747660D-01  0.232050D+00
      6   0.542893D+01 -0.438104D-01  0.277786D+01 -0.201365D+01  0.129237D+01
               236           237           238           239           240 
      1   0.983182D+00  0.358584D+01  0.375503D+01 -0.357585D+01  0.114305D+01
      2  -0.172405D+01  0.969754D+00 -0.381298D+01  0.678558D+00 -0.336091D+01
      3   0.740866D+00 -0.455559D+01  0.579491D-01  0.289729D+01  0.221786D+01
      4  -0.594680D+00  0.171511D+00  0.793866D+00 -0.948742D+00  0.241415D+01
      5   0.121933D+01  0.190121D+01  0.185413D+01  0.159939D+01  0.165509D+01
      6  -0.760028D+00  0.177873D+01  0.116313D+00 -0.204949D+01  0.469537D+01
               241           242           243           244           245 
      1   0.379961D+01  0.386255D+01 -0.206475D+02 -0.107711D+00  0.764566D+01
      2  -0.594176D+01  0.937976D+00 -0.162755D+02 -0.246665D+00 -0.968461D+01
      3   0.214216D+01 -0.480052D+01  0.369231D+02  0.354376D+00  0.203895D+01
      4  -0.155009D+01  0.342026D+01 -0.262290D+01 -0.175258D+02  0.777187D+01
      5   0.690473D+01 -0.396801D+01  0.216928D+02 -0.917514D+01  0.574123D+01
      6  -0.151424D+01  0.534177D+01 -0.101547D+02  0.946093D+01 -0.111833D+02
               246           247           248           249           250 
      1   0.444917D+01  0.212871D+01 -0.303134D+01 -0.176951D+01  0.169665D+01
      2  -0.201094D+01 -0.299430D+01  0.675786D+01  0.146302D+01  0.727005D+00
      3  -0.243823D+01  0.865598D+00 -0.372652D+01  0.306496D+00 -0.242366D+01
      4   0.831000D+01  0.778274D+01 -0.780192D+01 -0.497190D+01  0.435170D+01
      5   0.573613D+01  0.296062D+01 -0.323724D+01 -0.233647D+01  0.463484D+01
      6  -0.101154D+02 -0.547658D+01  0.507710D+01  0.528273D+01 -0.555387D+01
               251           252           253           254           255 
      1  -0.138671D+01 -0.400916D+01 -0.573325D+00 -0.333690D+01 -0.241766D+01
      2  -0.145158D+01 -0.193254D+01 -0.365797D+01  0.416110D+01 -0.618970D+01
      3   0.283829D+01  0.594171D+01  0.423129D+01 -0.824202D+00  0.860736D+01
      4  -0.416905D+01 -0.554287D+01  0.356656D+01  0.436675D+01  0.460288D+01
      5  -0.225198D+01 -0.373377D+01  0.492381D+01  0.193848D+01  0.842037D+01
      6   0.500253D+01  0.850434D+01  0.446607D+01  0.315894D+01  0.700905D+01
               256           257           258           259           260 
      1  -0.311565D+00  0.295293D+01  0.156877D+01 -0.178557D+01 -0.496018D+01
      2   0.133699D+01 -0.623168D+01  0.232322D+01 -0.362793D+01  0.285088D+01
      3  -0.102543D+01  0.327876D+01 -0.389199D+01  0.541350D+01  0.210930D+01
      4   0.502291D+00 -0.207356D+01 -0.696667D+00  0.357319D+01  0.196379D+01
      5   0.336073D+00  0.137928D+01 -0.924059D+00  0.555441D+01  0.125040D+01
      6   0.125785D+00 -0.192806D+01  0.726406D+00  0.327909D+01  0.657182D+01
               261           262           263           264           265 
      1  -0.120035D+02  0.206852D+02 -0.516197D+01 -0.796017D+01 -0.802960D+01
      2  -0.162413D+02 -0.168726D+02  0.679943D+01  0.954026D+01  0.889953D+01
      3   0.282448D+02 -0.381262D+01 -0.163746D+01 -0.158009D+01 -0.869933D+00
      4   0.294636D+01 -0.128659D+01  0.641161D+01  0.150943D+01  0.125332D+01
      5   0.987941D+01 -0.159082D+02  0.428286D+01  0.107019D+02  0.109207D+02
      6   0.189320D+02  0.749294D+00 -0.133646D+01  0.529251D+00 -0.101598D+01
               266           267           268           269           270 
      1   0.560822D+01  0.387496D+01 -0.339158D+01  0.126708D+01  0.211478D+01
      2  -0.615870D+01 -0.621685D+01  0.691566D+01 -0.206769D+01 -0.805032D+01
      3   0.550478D+00  0.234189D+01 -0.352408D+01  0.800609D+00  0.593553D+01
      4  -0.747891D+01 -0.497582D+00  0.299753D+01 -0.234661D+00 -0.209420D+01
      5  -0.279717D+01 -0.758017D+01  0.796494D+01 -0.362198D+01 -0.886249D+01
      6   0.266774D+01  0.429255D+00 -0.372699D+00  0.135376D+01 -0.691879D+00
               271           272           273           274           275 
      1  -0.260862D+01  0.235935D+01 -0.718667D+01  0.375600D+00 -0.510766D+01
      2  -0.170627D+01 -0.144655D+01 -0.104652D+01  0.446936D+00  0.193138D+01
      3   0.431489D+01 -0.912799D+00  0.823319D+01 -0.822535D+00  0.317627D+01
      4  -0.633128D+01 -0.293053D+01  0.341006D+00  0.131542D+01  0.166500D+01
      5   0.237037D+01  0.212384D+01 -0.174783D+00  0.342471D+00 -0.103769D+01
      6  -0.106614D-01  0.327420D+01 -0.583581D+01  0.427966D+00 -0.604356D+01
               276           277           278           279           280 
      1   0.631159D+01 -0.244454D+01  0.556320D+01 -0.183157D+02  0.650021D+01
      2  -0.102046D+01  0.149673D+01 -0.367527D-01 -0.114863D+02 -0.340078D+01
      3  -0.529113D+01  0.947809D+00 -0.552645D+01  0.298019D+02 -0.309943D+01
      4  -0.548265D+00 -0.316103D+01 -0.305257D+01 -0.513384D+00  0.470402D+01
      5   0.175595D+01  0.443269D+01  0.235698D+01 -0.113525D+02  0.814085D+01
      6   0.870634D+01  0.558411D+00  0.736267D+01 -0.175407D+02  0.223441D+01
               281           282           283           284           285 
      1   0.372048D+01  0.686339D+01  0.757434D+01 -0.584315D+00 -0.209264D+01
      2  -0.138212D+01 -0.376278D+01 -0.384998D+01  0.367894D+01 -0.204862D+00
      3  -0.233835D+01 -0.310061D+01 -0.372436D+01 -0.309463D+01  0.229750D+01
      4   0.521871D+01  0.191124D+01  0.117578D+02  0.245808D+02  0.125284D+02
      5   0.252754D+01  0.513468D+01  0.631070D+01  0.132613D+02  0.145066D+02
      6   0.783199D+00  0.728362D+00  0.436473D+01  0.120427D+02  0.825914D+01
               286           287           288           289           290 
      1   0.807154D+01 -0.192632D+01 -0.716776D+00  0.675937D+02 -0.170221D+02
      2  -0.606761D+01 -0.102575D+01 -0.376819D+01 -0.373245D+02  0.835480D+01
      3  -0.200394D+01  0.295207D+01  0.448496D+01 -0.302692D+02  0.866735D+01
      4   0.356224D+01  0.882675D+01  0.899642D+01 -0.218872D+02  0.131771D+02
      5   0.870072D+01  0.941953D+01  0.135858D+02  0.280853D+02 -0.745270D+01
      6   0.229609D+01  0.743975D+01  0.694516D+01 -0.483190D+01  0.297037D+01
               291           292           293           294           295 
      1   0.176991D+02 -0.271086D+02  0.133527D+02 -0.739591D+01  0.155468D+02
      2  -0.112655D+02  0.136700D+02 -0.570093D+01  0.489380D+01 -0.121250D+02
      3  -0.643358D+01  0.134386D+02 -0.765179D+01  0.250210D+01 -0.342188D+01
      4  -0.637535D+01  0.208662D+02 -0.137023D+02  0.907296D+01 -0.604520D+01
      5   0.170415D+02 -0.127881D+02  0.100647D+02 -0.767518D+01  0.216100D+02
      6  -0.191923D+01  0.573881D+01 -0.357225D+01  0.434746D+01 -0.323666D+01
               296           297           298           299           300 
      1  -0.387656D+01  0.121640D+02  0.673328D+02  0.171678D+02 -0.175727D+02
      2   0.348851D+01 -0.983000D+01 -0.370677D+02 -0.838271D+01  0.111485D+02
      3   0.388049D+00 -0.233398D+01 -0.302651D+02 -0.878512D+01  0.642412D+01
      4   0.588198D+01 -0.579490D+01  0.222067D+02  0.133389D+02 -0.643072D+01
      5  -0.621773D+01  0.133305D+02 -0.278835D+02 -0.748389D+01  0.169333D+02
      6   0.371706D+01 -0.283010D+01 -0.488642D+01 -0.299565D+01  0.195590D+01
               301           302           303           304           305 
      1   0.272451D+02  0.134639D+02 -0.738311D+01 -0.154251D+02 -0.387219D+01
      2  -0.136597D+02 -0.568613D+01  0.485517D+01  0.120030D+02  0.347363D+01
      3  -0.135854D+02 -0.777778D+01  0.252794D+01  0.342215D+01  0.398566D+00
      4   0.211063D+02  0.139423D+02 -0.912729D+01 -0.610454D+01 -0.591866D+01
      5  -0.128017D+02 -0.101064D+02  0.770344D+01  0.215013D+02  0.627037D+01
      6  -0.577900D+01 -0.363383D+01  0.436711D+01  0.329518D+01  0.374369D+01
               306           307           308           309           310 
      1   0.120925D+02  0.666503D+01 -0.375027D+01 -0.688015D+01 -0.767003D+01
      2  -0.973943D+01 -0.349594D+01  0.140439D+01  0.378524D+01  0.391865D+01
      3  -0.235308D+01 -0.316909D+01  0.234588D+01  0.309491D+01  0.375138D+01
      4   0.586930D+01 -0.476676D+01  0.531726D+01  0.194099D+01  0.118597D+02
      5  -0.132267D+02 -0.821014D+01  0.257197D+01  0.520758D+01  0.638391D+01
      6  -0.286797D+01  0.222829D+01 -0.824916D+00 -0.752631D+00 -0.439785D+01
               311           312           313           314           315 
      1  -0.363074D+00 -0.197070D+01 -0.810341D+01 -0.185253D+01 -0.618624D+00
      2   0.348887D+01 -0.298430D+00  0.610204D+01 -0.108131D+01 -0.383357D+01
      3  -0.312580D+01  0.226913D+01  0.200136D+01  0.293384D+01  0.445219D+01
      4  -0.245748D+02 -0.125359D+02  0.356780D+01 -0.882767D+01 -0.899648D+01
      5  -0.132850D+02 -0.145304D+02  0.876170D+01 -0.942678D+01 -0.136129D+02
      6   0.119518D+02  0.818490D+01 -0.230933D+01  0.738818D+01  0.688291D+01
               316           317           318           319           320 
      1  -0.270921D+01 -0.987396D+00 -0.357149D+01 -0.377181D+01 -0.358946D+01
      2  -0.194542D+00  0.171502D+01 -0.947328D+00  0.383370D+01  0.696285D+00
      3   0.290375D+01 -0.727626D+00  0.451882D+01 -0.618903D-01  0.289318D+01
      4  -0.975551D+00 -0.610935D+00  0.171596D+00  0.758403D+00  0.918487D+00
      5  -0.259768D+00  0.121983D+01  0.193111D+01  0.187570D+01 -0.158205D+01
      6   0.129927D+01  0.765248D+00 -0.177193D+01 -0.997773D-01 -0.202560D+01
               321           322           323           324           325 
      1   0.110897D+01 -0.378766D+01  0.382830D+01 -0.206360D+02 -0.114323D+01
      2  -0.340018D+01  0.594499D+01  0.923551D+00 -0.162998D+02  0.458172D+01
      3   0.229121D+01 -0.215732D+01 -0.475185D+01  0.369358D+02 -0.343850D+01
      4  -0.240061D+01 -0.156954D+01 -0.341590D+01  0.258720D+01  0.323206D+01
      5  -0.170929D+01  0.691314D+01  0.395096D+01 -0.217210D+02  0.160958D+01
      6   0.466902D+01  0.152261D+01  0.533619D+01 -0.101603D+02  0.224144D+00
               326           327           328           329           330 
      1   0.533748D+00  0.136301D+01  0.565490D+01 -0.116827D+02  0.159976D+01
      2   0.227823D+01 -0.178313D+01 -0.136580D+01  0.211763D+02 -0.304111D+00
      3  -0.281198D+01  0.420113D+00 -0.428911D+01 -0.949361D+01 -0.129565D+01
      4   0.522545D+01  0.215102D+00  0.859876D+01  0.212193D+02 -0.445398D+01
      5  -0.301080D+00 -0.116788D+00 -0.492124D+01 -0.283071D+01  0.461119D+01
      6  -0.437292D+00  0.176348D+00 -0.388334D+01 -0.123205D+02  0.547623D+01
               331           332           333 
      1   0.544724D+01  0.226297D+01 -0.430338D+01
      2  -0.365840D+01  0.859217D+00  0.238444D+01
      3  -0.178884D+01 -0.312219D+01  0.191894D+01
      4   0.176872D+01  0.211992D+01  0.207003D+01
      5  -0.133684D+01  0.191589D+01 -0.930109D-01
      6   0.308339D-01  0.280434D+01 -0.203276D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.890861D-02      0.226434D-01      0.755303D-01
   y         -0.800529D-04     -0.203474D-03     -0.678716D-03
   z          0.100325D-03      0.255002D-03      0.850594D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.150517D+03      0.223043D+02      0.248169D+02
   yx        -0.754235D-03     -0.111766D-03     -0.124356D-03
   yy         0.149050D+03      0.220869D+02      0.245749D+02
   zx        -0.156812D-02     -0.232371D-03     -0.258547D-03
   zy         0.598749D-01      0.887254D-02      0.987204D-02
   zz         0.118804D+03      0.176049D+02      0.195881D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.145128D+03      0.215058D+02      0.239284D+02
   aniso      0.332265D+02      0.492366D+01      0.547832D+01
   xx         0.156927D+03      0.232542D+02      0.258738D+02
   yx        -0.100980D-02     -0.149637D-03     -0.166494D-03
   yy         0.155464D+03      0.230375D+02      0.256326D+02
   zx        -0.182198D-02     -0.269990D-03     -0.300405D-03
   zy         0.347485D-01      0.514920D-02      0.572926D-02
   zz         0.122994D+03      0.182258D+02      0.202789D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.35877401          0.08788376         -5.46357659
     6         -1.47772948         -0.20504003         -5.43126830
     7         -2.22504686         -1.46968958         -2.99423412
    45         -0.00105609          0.00023177          0.00035199
     7          2.20894566          1.85361184          2.78749118
     6          0.79117946          4.11834554          3.76473204
     6         -0.51397037          5.38451931          1.56710704
     7         -2.06317300          3.43142715          0.19865746
     7          2.15504566          1.40731295         -3.07171072
     7         -2.14754557         -1.79726140          2.87209759
     6         -0.70366314         -4.03716438          3.86818416
     6          0.55530996         -5.35005810          1.67094759
     7          2.06794465         -3.42522795          0.22379728
     1         -0.56962142          3.46273310          5.16672248
     1          2.07807240          5.41565759          4.71751425
     1          0.85420626          6.16372377          0.23694819
     1         -1.71000739          6.93822435          2.20158996
     1         -0.84015191         -6.16267229          0.39010479
     1          1.76970047         -6.88606436          2.31358653
     1          0.68620151         -3.34809181          5.22484570
     1         -1.96639072         -5.31486827          4.87808581
     1         -2.63270866         -0.66650490          4.35461399
     1         -3.83078621         -2.41895327          2.16705436
     1          2.58068600         -4.17877258         -1.47373911
     1          3.73901844         -3.13819974          1.14137995
     1          1.90604036          3.30388580         -3.30529757
     1          4.05778902          1.19081705         -2.85282106
     1         -2.61559017          4.14870027         -1.50213843
     1         -3.71200974          3.16656617          1.16195061
     1          2.72192455          0.75388310          4.28384604
     1          3.87879014          2.45546235          2.03487456
     1          2.30263937         -1.74285178         -5.52284904
     1          1.98195758          1.15296126         -7.11404937
     1         -2.13438159         -1.30725914         -7.04394006
     1         -2.42298038          1.62414666         -5.51292244
     1         -4.12217698         -1.24341948         -2.73943298
     1         -1.98530439         -3.37165720         -3.19119244

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.890953D-02      0.226458D-01      0.755381D-01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.118809D+03      0.176058D+02      0.195890D+02
   yx         0.212024D+00      0.314186D-01      0.349580D-01
   yy         0.149048D+03      0.220867D+02      0.245747D+02
   zx         0.359287D+00      0.532409D-01      0.592385D-01
   zy         0.987699D-02      0.146362D-02      0.162849D-02
   zz         0.150513D+03      0.223037D+02      0.248162D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.145128D+03      0.215058D+02      0.239284D+02
   aniso      0.332265D+02      0.492366D+01      0.547832D+01
   xx         0.123000D+03      0.182267D+02      0.202799D+02
   yx         0.257136D+00      0.381037D-01      0.423961D-01
   yy         0.155463D+03      0.230372D+02      0.256323D+02
   zx         0.384314D+00      0.569495D-01      0.633648D-01
   zy         0.907069D-02      0.134414D-02      0.149556D-02
   zz         0.156923D+03      0.232536D+02      0.258731D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K13-16-02\Freq\RB3LYP\Gen\C6H24N6Rh1(3+)\PIERPA\16-Jul-20
 21\0\\#P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SC
 F=(NoSymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseu
 do=Read\\ROA calculations.\\3,1\C,-2.882333,0.078868,-0.751096\C,-2.88
 3637,-0.089617,0.748561\N,-1.604578,-0.773888,1.152492\Rh,0.000181,0.0
 00116,0.000562\N,1.496894,0.977942,-1.143379\C,2.016113,2.16498,-0.376
 616\C,0.851421,2.83927,0.306893\N,0.108865,1.805044,1.10917\N,-1.60576
 2,0.769395,-1.151895\N,1.498354,-0.974746,1.144883\C,2.02354,-2.157905
 ,0.376178\C,0.862316,-2.836237,-0.309308\N,0.114723,-1.80375,-1.109148
 \H,2.746689,1.805009,0.348651\H,2.534073,2.852953,-1.045694\H,0.159478
 ,3.264331,-0.421261\H,1.187267,3.65275,0.950911\H,0.172399,-3.26669,0.
 417566\H,1.202417,-3.646338,-0.955343\H,2.75296,-1.793209,-0.34787\H,2
 .544317,-2.844721,1.044258\H,2.285191,-0.385753,1.415804\H,1.112276,-1
 .308266,2.028366\H,-0.783947,-2.191995,-1.394149\H,0.611614,-1.64838,-
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 Once you get people laughing, they're
 listening and you can tell them almost anything.
                                 -- Herb Gardner
 Job cpu time:       0 days 17 hours 10 minutes 43.6 seconds.
 Elapsed time:       0 days  2 hours  9 minutes 59.5 seconds.
 File lengths (MBytes):  RWF=    642 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 15:20:06 2021.
